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List of works by Carlos Alemán

1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysis.

scientific article published on 28 September 2015

1-amino-2-phenylcyclopentane-1-carboxylic acid: a conformationally restricted phenylalanine analogue

scientific article

2,2'-Bithienyl derivatives: EPR investigation of their radical ions in solution, electrochemical properties, and crystal structure

3D structure of a Brucella melitensis porin: molecular modelling in lipid membranes

scientific article published on 28 December 2018

A Computational Study of Neutral and Charged Pyrroles. Functionalization of 1-Phenylpyrrole and 2,5-Dimethyl-1-phenylpyrrole with Electron Donating Methylsulfanyl Groups

A Conducting Polymer/Protein Composite with Bactericidal and Electroactive Properties

A MNDO and AM1 quantum chemical study of the reaction mechanism of the McLafferty type rearrangement in the butanal radical cation

article published in 1992

A Protocol for the Design of Protein and Peptide Nanostructure Self-Assemblies Exploiting Synthetic Amino Acids

scientific article

A Quantum Mechanical Study on the Electrostratic Interactions of Poly(l-lysine)·Alkyl Sulfate Complexes

A Rigid, Chiral, Dendronized Polymer with a Thermally Stable, Right-Handed Helical Conformation

scientific article published on 01 January 2008

A combined theoretical and experimental investigation about the influence of the dopant in the anionic electropolymerization of α-tetrathiophene

A combined theoretical and experimental investigation about the influence of the dopant in the anodic electropolymerization of α-tetrathiophene

A comparative study of the performance of Dewar's semiempirical methods to compute electron spin resonance hyperfine coupling constants

A comprehensive study of the interactions between DNA and poly(3,4-ethylenedioxythiophene)

article published in 2009

A conformational study of the dehydroalanine: dipeptide and homopolypeptide.

scientific article published on December 1993

A density functional theory study of n-doped 3,4-ethylenedioxythiophene oligomers

article published in 2004

A first principle analysis of the structure of oligoanilines doped with alkylsulfonic acids.

scientific article published in July 2009

A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima

A microscopic view of a helical poly(γ-peptide): Molecular dynamics simulations of a 20-residue un-ionized poly(γ-D-glutamic acid) in water

A molecular dynamics study of the stoichiometric complex formed by poly (alpha, L-glutamate) and octyltrimethylammonium ions in chloroform solution

scientific article published in March 2002

A molecular dynamics study of the stoichiometric complex formed by poly (α,L-glutamate) and octyltrimethylammonium ions in chloroform solution

article

A molecular dynamics study on glucose molecular recognition by a non-enzymatic selective sensor based on a conducting polymer

scientific article published on 01 April 2019

A multi-step template-assisted approach for the formation of conducting polymer nanotubes onto conducting polymer films

A new strategy for the evaluation of force parameters from quantum mechanical computations

A quantum mechanical study of the intrinsic helix-forming tendency of α-aminoisobutyric acid and dehydroalanine residues

scientific article published in 1994

A quantum mechanical study of the ionic interactions in model compounds of polyelectrolite–surfactant complexes derived from polypeptides

article

A quantum-mechanical study of the chain-length dependent stability of the extended and 310-helix conformations in dehydroalanine oligopeptides

scientific article published on 01 August 1994

A rational design for the selective detection of dopamine using conducting polymers

scientific article published in May 2014

A simple model to describe the thixotropic behavior of paints

article by Elaine Armelin et al published November 2006 in Progress in Organic Coatings

A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptides

scientific article published on 30 August 2010

A single-residue substitution inhibits fibrillization of Ala-based pentapeptides. A spectroscopic and molecular dynamics investigation

article

A synergistic combination of tetraethylorthosilicate and multiphosphonic acid offers excellent corrosion protection to AA1100 aluminum alloy

scholarly article by Viviane Dalmoro et al published May 2013 in Applied Surface Science

A theoretical study of the effects produced by N-hydroxyalkyl substitution in pyrrole oligomers

A theoretical study on the interaction between N-methylpyrrole and 3,4-ethylenedioxythiophene units in copolymer molecules

Ab initio SCF and force-field calculations on low-energy conformers of 2-acetylamino-2,N-dimethylpropanamide

Ab initio SCF-MO incremental triplet polarizabilities of neon clusters

scholarly article by Carlos Alemán et al published December 1992 in International journal of mass spectrometry and ion processes

Ab initio calculations on π-stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters

scientific article published on 01 January 2008

Acid-base and electronic structure-dependent properties of Hoechst 33342.

scientific article published in August 2005

Advanced Functional Hydrogel Biomaterials Based on Dynamic B-O Bonds and Polysaccharide Building Blocks

scientific article published on 24 September 2020

Aggregation propensity of therapeutic fibrin-homing pentapeptides: insights from experiments and molecular dynamics simulations

scientific article published on 09 November 2020

All-polythiophene rechargeable batteries

Amphiphilic polypyrrole-poly(Schiff base) copolymers with poly(ethylene glycol) side chains: synthesis, properties and applications

Amyloid fibrils from organic solutions of an amphiphilic dipeptide

scientific article published on 01 July 2019

Amyloid-like Fibrils from a Diphenylalanine Capped with an Aromatic Fluorenyl

scientific article published on 30 November 2018

An electroactive and biologically responsive hybrid conjugate based on chemical similarity

article by Georgina Fabregat et al published 2013 in Polymer Chemistry

An experimental-computer modeling study of inorganic phosphates surface adsorption on hydroxyapatite particles.

scientific article published on June 2015

Analysis of the Helical Conformations in Poly (.beta.-L-aspartate)s: Poly(.alpha.-n-butyl .beta.-L-aspartate) and Poly[.alpha.-(2-methoxyethyl) .beta.-L-aspartate]

Analysis of the conformational preferences of (4R,5R)-4,5-bis(alkylcarbamoyl)-1,3-dioxolanes

Analysis of the oxalamide functionality as hydrogen bonding former: geometry, energetics, cooperative effects, NMR chemical characterization and implications in molecular engineering

Anticorrosion performances of epoxy coatings modified with polyaniline: A comparison between the emeraldine base and salt forms

Antimicrobial Electrospun Fibers of Polyester Loaded with Engineered Cyclic Gramicidin Analogues

Antimicrobial activity of poly(3,4-ethylenedioxythiophene) n-doped with a pyridinium-containing polyelectrolyte

scientific article published on 10 September 2019

Application of 1-aminocyclohexane carboxylic acid to protein nanostructure computer design

scientific article published on 17 January 2008

Application of a polythiophene derivative as anticorrosive additive for paints

Application of electrochemically produced and oxidized poly(3,4-ethylenedioxythiophene) as anticorrosive additive for paints: Influence of the doping level

Aromatic ionene topology and counterion-tuned gelation of acidic aqueous solutions

scientific article published on 01 April 2017

Assembly of Conducting Polymer and Biohydrogel for the Release and Real-Time Monitoring of Vitamin K3

scientific article published on 28 November 2018

Atomistic modeling of peptides bound to a chemically active surface: conformational implications

scientific article published on 03 January 2011

Atomistic organization and characterization of tube-like assemblies comprising peptide–polymer conjugates: computer simulation studies

scientific article published on 01 January 2013

Atomistic simulations of the structure of highly crosslinked sulfonated poly(styrene-co-divinylbenzene) ion exchange resins.

scientific article published in March 2015

Backbone conformational preferences and pseudorotational ring puckering of 1-aminocyclopentane-1-carboxylic acid

scientific article

Binding in complex ionic systems: anticooperative effects in systems stabilized by electrostatic interactions

Binding of 6-mer single-stranded homo-nucleotides to poly(3,4-ethylenedioxythiophene): specific hydrogen bonds with guanine

Binding of Cationic Conjugated Polymers to DNA: Atomistic Simulations of Adducts Involving the Dickerson’s Dodecamer

scientific article published on 25 February 2011

Binding of a C-end rule peptide to the neuropilin-1 receptor: a molecular modeling approach

scientific article

Bioactive and electroactive response of flexible polythiophene:polyester nanomembranes for tissue engineering

article

Bioactive nanomembranes of semiconductor polythiophene and thermoplastic polyurethane: thermal, nanostructural and nanomechanical properties

article published in 2013

Biodegradable and Biocompatible Systems Based on Hydroxyapatite Nanoparticles

scholarly article by Pau Turon et al published 6 January 2017 in Applied sciences

Biodegradable free-standing nanomembranes of conducting polymer:polyester blends as bioactive platforms for tissue engineering

scholarly article by Elaine Armelin et al published 2012 in Journal of Materials Chemistry

Biodegradable nanofibrous scaffolds as smart delivery vehicles for amino acids

scholarly article by Silvana Maione et al published 7 February 2017 in Journal of Applied Polymer Science

Biomimetic hybrid membranes: incorporation of transport proteins/peptides into polymer supports

scientific article published on 14 March 2019

Biominerals Formed by DNA and Calcium Oxalate or Hydroxyapatite: A Comparative Study

scientific article published on 26 August 2019

Calculated and experimental NMR chemical shifts of p-menthane-3,9-diols. A combination of molecular dynamics and quantum mechanics to determine the structure and the solvent effects.

scientific article published in June 2001

Capacitive Composites Made of Conducting Polymer and Lysozyme: Toward the Biocondenser

Cationic ionene as an n-dopant agent of poly(3,4-ethylenedioxythiophene).

scientific article published on 3 April 2018

Cell Responses to Electrical Pulse Stimulation for Anticancer Drug Release

scientific article published on 19 August 2019

Cellular adhesion, proliferation and viability on conducting polymer substrates.

scientific article

Chain conformation in polyretropeptides: Quantum mechanical and empirical force field calculations on 2,6,8-trioxo-3,5,9-triazadecane, a model compound for poly(retro-glycine)

article

Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer

scientific article published on 6 April 2007

Characterization and Properties of Poly[N-(2-cyanoethyl)pyrrole]

Characterization and properties of a polythiophene with a malonic acid dimethyl ester side group

ChemInform Abstract: Application of 1-Aminocycohexane Carboxylic Acid to Protein Nanostructure Computer Design

Clay incorporation at the dielectric layer of multilayer polymer films for electrochemical activation

Coarse-grained representation of beta-helical protein building blocks

scientific article

Coarse-grained simulations of amorphous and melted polyethylene

Coarse-graining the self-assembly of beta-helical protein building blocks

scientific article

Coarse-graining: A procedure to generate equilibrated and relaxed models of amorphous polymers

scientific article published on 01 September 2007

Comblike poly(alpha-alkyl gamma-glutamate)s: computer simulation studies of an intermediate thermal phase

scientific article published in January 2003

Comparative Theoretical Study of Heterocyclic Conducting Oligomers:  Neutral and Oxidized Forms

Composites Based on Hydroxyapatite and Biodegradable Polylactide

scholarly article published 14 July 2017

Composites based on epoxy resins and poly(3-thiophene methyl acetate) nanoparticles: mechanical and electrical properties

Computational study of the conformational preferences of the (R)-8-amino-pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8-carboxylic acid monopeptide

scientific article

Computational tool to model the packing of polycyclic chains: structural analysis of amorphous polythiophene.

scientific article

Computer Simulation of Fifth Generation Dendronized Polymers: Impact of Charge on Internal Organization

scientific article published on 06 May 2013

Computer simulation of dendronized polymers: organization and characterization at the atomistic level

scholarly article in RSC Advances, vol. 3 no. 1, 2013

Computer simulations of amorphous polymers: From quantum mechanical calculations to mesoscopic models

Concepts and schemes for the re-engineering of physical protein modules: generating nanodevices via targeted replacements with constrained amino acids

scientific article

Conducting poly(3,4-ethylenedioxythiophene)-montmorillonite exfoliated nanocomposites

Conducting polymer actuator mechanism based on the conformational flexibility of calix[4]arene

scientific article published in February 2006

Conducting polymers obtained from quiescent and stirred solutions: Effects on the properties

scholarly article in Polymer Engineering and Science, vol. 54 no. 9, September 2013

Conductive Polymer Composites

Confinement of a β-barrel protein in nanoperforated free-standing nanomembranes for ion transport.

scientific article

Conformation and Crystal Structure of Poly(α-cycloalkyl-β-l-aspartate)s

Conformation of the helical polyamide poly(α-isobutyl L-aspartate)

Conformational Analysis of (S)-4-(Cyclohexoxycarbonyl)-2-azetidinone

Conformational Analysis of a Cyclopropane Analogue of Phenylalanine with Two Geminal Phenyl Substituents

article

Conformational Aspects and Molecular Dynamics Simulations of Peptide Hybrid Materials

Conformational Behavior of Macromolecules in Solution. Homopolypeptides of α-Aminoisobutyric Acid as Test Cases

scholarly article by Roberto Improta et al published October 2001 in Macromolecules

Conformational Features of an Actuator Containing Calix[4]arene and Thiophene: A Molecular Dynamics Study

article

Conformational Preferences of 2,3,3a,8a-Tetrahydrofuro[2,3-b]benzofuran. The Chemical Modifications Drive the Pseudorotational Preferences

scientific article published on 01 July 1999

Conformational analysis of a modified RGD adhesive sequence

scientific article published on 23 November 2016

Conformational analysis of helical poly(β‐L‐ aspartate)s by IR dichroism ⬇️

scientific article published on September 1, 1995

Conformational analysis of succinamide analogs

article

Conformational analysis of the 13/4 to 4/1 helical transition in poly(α-isobutyl β-L-aspartate)

Conformational exploration of two peptides and their hybrid polymer conjugates: potentialities as self-aggregating materials

scientific article published on 27 November 2012

Conformational isomerism of electroactive calix[4]arenes: influence of the electronic state in the flexibility of thiophene-containing calix[4]arene.

scientific article published in September 2006

Conformational preferences of 1-amino-2-phenylcyclohexanecarboxylic acid, a phenylalanine cyclohexane analogue

scientific article published on October 2009

Conformational preferences of alpha-substituted proline analogues

scientific article published on 20 March 2008

Conformational preferences of beta- and gamma-aminated proline analogues

scientific article

Conformational preferences of proline analogues with a fused benzene ring

scientific article published on September 2010

Conformational profile of a proline-arginine hybrid

scientific article

Conformational study of a nine residue fragment of the antigenic loop of foot-and-mouth disease virus

scientific article published on August 1, 1992

Conformational study of alanine and α-aminoisobutyric Ψ[NHCO]-retroamide peptide analogues

scientific article published on 01 March 1994

Conformations of Nylons 1,n According to the Number of Methylene Carbons

Conformations of proline analogues having double bonds in the ring

scientific article

Contraction Process of an Electroactive Actuator Based on a One Microsecond Atomistic Molecular Dynamics Simulation

scientific article published on 01 January 2007

Controlled Isomerization of a Light-Driven Molecular Motor: A Theoretical Study

Controlling the Morphology of Poly(N-cyanoethylpyrrole)

scientific article published on 13 April 2012

Copolymers of 3,4-Ethylenedioxythiophene and 3-Methylthiophene: Properties, Applications and Morphologies

Copolymers of pyrrole and N-(hydroxypropyl)pyrrole: properties and interaction with DNA

article published in 2007

Copolymers ofN-methylpyrrole and 3,4-ethylenedioxythiophene: structural, physical and electronic properties

Copper Coordination Study in a Metal-Induced Chiral Polythiophene Aggregate

Correlation between symmetry breaker position and the preferences of conformationally constrained homopeptides: a molecular dynamics investigation.

scientific article published in January 2008

Corrosion protection with polyaniline and polypyrrole as anticorrosive additives for epoxy paint

Corrosion rate evaluation by gravimetric and electrochemical techniques applied to the metallic reinforcing structures of a historic building

Cross-linking in polypyrrole and poly(N-methylpyrrole): Comparative experimental and theoretical studies

Crystalline poly(4-methyl-1-pentene): Structure and solubility of gas molecules

article published in 2002

Current status and challenges of biohydrogels for applications as supercapacitors and secondary batteries

DFT-GIAO study of aryltetralin lignan lactones: conformational analyses and chemical shifts calculations.

scientific article

DNA adsorbed on hydroxyapatite surfaces

scientific article published on 10 September 2014

DNA-conducting polymer complexes: a computational study of the hydrogen bond between building blocks

scientific article published on 16 February 2008

De novo tubular nanostructure design based on self-assembly of beta-helical protein motifs

scientific article

Design of hybrid conjugates based on chemical similarity

scholarly article in RSC Advances, vol. 3 no. 43, 2013

Designing Stainless Steel Surfaces with Anti-Pitting Properties Applying Laser Ablation and Organofluorine Coatings

Detailed Description of the Molecular Organization behind AFM Images of Polymer Coatings: A Molecular Modeling Approach

Detection of Dopamine Using Chemically Synthesized Multilayered Hollow Microspheres

scientific article published on 21 April 2014

Determination of New Cu+, Cu2+, and Zn2+ Lennard-Jones Ion Parameters in Acetonitrile ⬇️

scientific article published on August 28, 2013

Development of Novel Biobased Epoxy Films with Aliphatic and Aromatic Amine Hardeners for the Partial Replacement of Bisphenol a in Primer Coatings

article

Dextrin- and Conducting-Polymer-Containing Biocomposites: Properties and Behavior as Cellular Matrix

Different properties for poly(3,4-ethylenedioxythiophene) films derived from single or multiple polymerization steps

Dinaphtho[2′,3′:5,6][1,4]dithiino[2,3-b:2,3-e]pyridine, its 16-butyl derivative and dinaphtho[2′,3′:5,6][1,4]dioxo[2,3-b:2,3-e]pyridine: novel heterocycles as electron donor compounds

Diradical dications of m- and p-phenylenebis[2,5-di(2-thienyl)-1-pyrrole]: weakly coupled diradicals.

scientific article published in June 2001

Dissolving Hydroxyolite: A DNA Molecule into Its Hydroxyapatite Mold.

scientific article published in April 2016

Distribution of dopant ions around poly(3,4-ethylenedioxythiophene) chains: a theoretical study

scientific article published on 01 April 2017

Diversity and Hierarchy in Supramolecular Assemblies of Triphenylalanine: From Laminated Helical Ribbons to Toroids

scientific article published on 4 April 2017

Doped photo-crosslinked polyesteramide hydrogels as solid electrolytes for supercapacitors

scientific article published on 12 August 2020

Drug delivery systems based on intrinsically conducting polymers

scientific article published on 25 July 2019

Dual-Functionalization Device for Therapy through Dopamine Release and Monitoring.

scientific article published on 17 April 2018

EVEBAT: a fast strategy for the examination of the empty space in polymer matrices.

scientific article

Effect of Solvent Choice on the Self-Assembly Properties of a Diphenylalanine Amphiphile Stabilized by an Ion Pair

scientific article published on 4 April 2017

Effect of the Folding of Methylene Units in the Conformational Preferences of Small Diesters ⬇️

scientific article published on May 16, 1997

Effect of the environment on the stability of surfactant-polypeptide self-assembled complexes: Molecular dynamics simulations of stoichiometric complexes formed byN-dodecyltrimethylammonium and poly(α,L-glutamate) in chloroform, methanol, and water

Effect of the graft ratio on the properties of polythiophene-g-poly(ethylene glycol)

Effect on the Conformation of a Terminally Blocked, (E) β,γ-Unsaturated δ-Amino Acid Residue Induced by Carbon Methylation

scientific article published on 11 December 2019

Effects of Aqueous and Organic Solvents on the Conformational Properties of the Helix-Forming α-Methyl-β-l-aspartamyl Residue ⬇️

scientific article published on 01 October 1996

Effects of different continium dielectric models in a molecular dynamics and energy minimization study of the antigenic loop of foot-and-mouth disease virus.

scientific article published in October 1993

Effects of hydroxyapatite (0001) Ca2+/Mg2+ substitution on adsorbed d-ribose ring puckering

scholarly article in RSC Advances, vol. 6 no. 73, 2016

Effects of ring contraction on the conformational preferences of α-substituted proline analogs

scientific article published on 06 September 2011

Electrically Polarized Hydroxyapatite: Influence of the Polarization Process on the Microstructure and Properties

scientific article published on 06 November 2019

Electro-biocompatibility of conjugates designed by chemical similarity

scientific article published on 06 June 2014

Electroactive and bioactive films of random copolymers containing terthiophene, carboxyl and Schiff base functionalities in the main chain

Electroactive polymer-peptide conjugates for adhesive biointerfaces.

scientific article published on 8 July 2015

Electroactive polymers for the detection of morphine

Electroactivity, electrochemical stability and electrical conductivity of multilayered films containing poly(3,4-ethylendioxythiophene) and poly(N-methylpyrrole)

Electrochemical Synthesis of Poly(3,4-ethylenedioxythiophene) on Steel Electrodes: Properties and Characterization

Electrochemical characteristics of copolymers electrochemically synthesized from N-methylpyrrole and 3,4-ethylenedioxythiophene on steel electrodes: Comparison with homopolymers

Electrochromic Self-Electrostabilized Polypyrrole Films Doped with Surfactant and Azo Dye

scientific article published on 25 October 2019

Electronic characterization of all-thiophene conducting dendrimers: Molecules and assemblies

Electronic properties of poly(thiophene-3-methyl acetate)

Electrospray loading and release of hydrophobic gramicidin in polyester microparticles

scholarly article in RSC Advances, vol. 6 no. 77, 2016

Electrospun Conducting and Biocompatible Uniaxial and Core-Shell Fibers Having Poly(lactic acid), Poly(ethylene glycol), and Polyaniline for Cardiac Tissue Engineering

scientific article published on 19 February 2019

Electrostimulated Release of Neutral Drugs from Polythiophene Nanoparticles: Smart Regulation of Drug-Polymer Interactions.

scientific article published on 3 July 2017

Elucidating the mechanism of interaction between peptides and inorganic surfaces

scientific article published on 01 June 2015

En route towards the peptide γ-helix: X-ray diffraction analyses and conformational energy calculations of Adm-rich short peptides.

scientific article published on 22 December 2016

Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing

scientific article published on 14 December 2012

Enhanced dielectric performance of a block copolymer-polythiophene nanocomposite

article published in 2016

Ester substitution in 2,2′-bithiophene: Analyses of the changes induced in the structural and electronic properties

Evaluation of an environmentally friendly anticorrosive pigment for alkyd primer

Examining the Planarity of Poly(3,4-ethylenedioxythiophene): Consideration of Self-Rigidification, Electronic, and Geometric Effects

scientific article published on 01 January 2010

Examining the compatibility of collagen and a polythiophene derivative for the preparation of bioactive platforms

scholarly article in RSC Advances, vol. 5 no. 12, 2015

Examining the formation of specific interactions between poly(3,4-ethylenedioxythiophene) and nucleotide bases

scholarly article in RSC Advances, vol. 3 no. 8, 2013

Exploiting molecular self-assembly: from urea-based organocatalysts to multifunctional supramolecular gels

scientific article

Exploring the energy landscape of a molecular engineered analog of a tumor-homing peptide

scientific article published on 24 January 2011

Factors Governing the Conformational Tendencies of Cα-Ethylated α-Amino Acids: Chirality and Side-Chain Size Effects ⬇️

scientific article published on November 5, 2012

Fibrin Association at Hybrid Biointerfaces Made of Clot-Binding Peptides and Polythiophene.

scientific article published in July 2016

Field-Induced Transport in Sulfonated Poly(styrene-co-divinylbenzene) Membranes

Flexible Electrodes for Supercapacitors Based on the Supramolecular Assembly of Biohydrogel and Conducting Polymer

Fluorescein isothiocyanate: Molecular characterization by theoretical calculations

Fmoc-RGDS based fibrils: atomistic details of their hierarchical assembly.

scientific article published on 14 December 2015

Folding of Methylene Groups in Linear Glutaramide Analogs

scientific article published in 1995

Force field parametrization of 1,3-dihydroimidazol-2-one

Force-field parametrization and molecular dynamics simulations of p-menthan-3,9-diols: a family of amphiphilic compounds derived from terpenoids

scientific article published on 01 March 2001

Force-field parametrization of retro-inverso modified residues: Development of torsional and electrostatic parameters

article

Free-Standing Faradaic Motors Based on Biocompatible Nanoperforated Poly(lactic Acid) Layers and Electropolymerized Poly(3,4-ethylenedioxythiophene)

scientific article published on 30 July 2019

From peptide-based material science to protein fibrils: discipline convergence in nanobiology

scientific article

From poly(3,4-ethylenedioxythiophene) to poly(3,4-phenylenedioxythiophene): impact of the substitution of the ethylene bridge by the phenyl ring on the molecular properties.

scientific article published in March 2010

GEMOX: A simple and efficient strategy for the generation of polymer molecular models compatible with X-ray diffraction data

article by Juan José Navas et al published June 1996 in Polymer

Generation−Relaxation Algorithms to Construct Representative Atomistic Models of Amorphous Polymers: Influence of the Relaxation Method

scholarly article by David Curcó et al published December 2004 in Journal of Physical Chemistry

Helical Dendronized Polymers with Chiral Second-Generation Dendrons: Atomistic View and Driving Forces for Structure Formation

scientific article published on 01 November 2009

Helical Nylons 3. Synthesis and Crystal Structure of Poly(β-l-aspartate)s with Branched Alkyl Side Chains

Helical Poly(β-peptides): The Helix−Coil Transition of Poly(α-alkyl-β-aspartate)s in Solution

Helical preferences of alanine, glycine, and aminoisobutyric homopeptides

scientific article published in May 1997

Helical region of the potential energy surface of α-aminoisobutyric acid: A theoretical study

Heterochirality Restricts the Self-Assembly of Phenylalanine Dipeptides Capped with Highly Aromatic Groups

scientific article published on 19 June 2020

Hexaazatriphenylene (HAT) versus tri-HAT: The Bigger the Better?

scientific article published on 17 August 2011

Hierarchical self-assembly of di-, tri- and tetraphenylalanine peptides capped with two fluorenyl functionalities: from polymorphs to dendrites

scientific article published on 25 May 2016

How Organophosphonic Acid Promotes Silane Deposition onto Aluminum Surface: A Detailed Investigation on Adsorption Mechanism

scholarly article by Juan Torras et al published 29 July 2014 in Journal of Physical Chemistry C

Hybrid materials consisting of an all-conjugated polythiophene backbone and grafted hydrophilic poly(ethylene glycol) chains

Hybrid nanofibers from biodegradable polylactide and polythiophene for scaffolds

scholarly article by Elena Llorens et al published 2014 in RSC Advances

Hybrid polythiophene–clay exfoliated nanocomposites for ultracapacitor devices

Hydrogen-bonding interactions in 2-thiophen-3-ylmalonic acid.

scientific article published on 27 September 2008

Hydroxyapatite with Permanent Electrical Polarization: Preparation, Characterization, and Response against Inorganic Adsorbates

scientific article published on 03 May 2018

Identification of the intrinsic conformational properties of 1-aminocyclobutane-1-carboxylic acid

Impact of the solvent on the conformational isomerism of calix[4]arenes: a study based on continuum solvation models.

scientific article published in February 2004

Improving the corrosion performance of hybrid sol–gel matrix by modification with phosphonic acid

article published in 2015

Improving the fabrication of all-polythiophene supercapacitors

In silico molecular engineering for a targeted replacement in a tumor-homing peptide

scientific article published on June 2009

Incorporation of Chloramphenicol Loaded Hydroxyapatite Nanoparticles into Polylactide

scientific article published on 11 October 2019

Incorporation of a clot-binding peptide into polythiophene: properties of composites for biomedical applications

scientific article

Influence of pH in the synthesis of ferric tannate pigment for application in antifouling coatings

Influence of polarity of the medium in the saturation of the electronic properties for π-conjugated oligothiophenes

Influence of the Doping Level on the Interactions between Poly(3,4-ethylenedioxythiophene) and Plasmid DNA

Influence of the Phenyl Side Chain on the Conformation of Cyclopropane Analogues of Phenylalanine

Influence of the Temperature on the Proton Transport in Poly(styrene-co-divinylbenzene) Membranes from Molecular Dynamics Simulations

Influence of the atmosphere conditions in the structure, properties and solubility of fluorine-substituted hydroxyapatites

Influence of the dye presence on the conformational preferences of CREKA, a tumor homing linear pentapeptide

scientific article published in January 2009

Influence of the presence of small gas molecules in the structure of comblike polyacrylates: a Monte Carlo study.

scientific article

Influence of the solvation model and the solvent on the gauche-trans equilibrium of 1,1,2-trichloroethane

article

Influence of the surrounding environment in re-naturalized β-barrel membrane proteins

scientific article published on 2 January 2018

Insulating and semiconducting polymeric free-standing nanomembranes with biomedical applications

scientific article published on 10 June 2015

Integrating the intrinsic conformational preferences of noncoded α-amino acids modified at the peptide bond into the noncoded amino acids database

scientific article

Interactions in dendronized polymers: intramolecular dominates intermolecular

article

Intermolecular interactions in electron transfer through stretched helical peptides

article

Internal organization of macromonomers and dendronized polymers based on thiophene dendrons

scientific article published on 01 February 2015

Intramolecular backbone···backbone hydrogen bonds in polypeptide conformations. The other way around: ɛ-turn.

scientific article

Intrinsic Flexing Abilities of Molecular Muscles Based on Tetrakis(2,3-thienylene): A Quantum Mechanical Study

scientific article published on 08 March 2007

Intrinsic conformational characteristics of alpha,alpha-diphenylglycine

scientific article

Intrinsic conformational preferences of C(alpha,alpha)-dibenzylglycine

scientific article published on 09 May 2008

Ion–Ion Repulsions and Charge-Shielding Effects Dominate the Permeation Mechanism through the OmpF Porin Channel

scientific article published on 18 December 2018

Isomeric cationic ionenes as n-dopant agents of poly(3,4-ethylenedioxythiophene) for in situ gelation

scientific article published on 01 August 2018

Key Building Block of Photoresponsive Biomimetic Systems

scientific article published on 06 January 2011

Linear Viscoelastic Response of Dendronized Polymers

article

Loading of Antibiotic into Biocoated Hydroxyapatite Nanoparticles: Smart Antitumor Platforms with Regulated Release

Main-chain scission of individual macromolecules induced by solvent swelling

scientific article published on 08 May 2019

Marine paint formulations: Conducting polymers as anticorrosive additives

Marine-friendly antifouling coating based on the use of a fatty acid derivative as a pigment

Massive quantum regions for simulations on bio-nanomaterials: synthetic ferritin nanocages.

scientific article published on 8 February 2018

Measuring the Proton Conductivity of Ion-Exchange Membranes Using Electrochemical Impedance Spectroscopy and Through-Plane Cell

scientific article published on 16 January 2014

Mechanism of deoxygenation of butyraldehyde by atomic carbon

Microfibres of conducting polythiophene and biodegradable poly(ester urea) for scaffolds

scholarly article by Marc Planellas et al published 2015 in Polymer Chemistry

Microscopic details of the sensing ability of 15-crown-5-ether functionalized poly(bithiophene)

article published in 2010

Microstructures of poly(N-methylpyrrole) and their interaction with morphine

article published in 2011

Mineralization of DNA into nanoparticles of hydroxyapatite

scientific article published in January 2014

Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica

Modeling an electronic conductor based on natural peptide sequences.

scientific article published in August 2009

Modeling biominerals formed by apatites and DNA.

scientific article

Modeling of a C-end rule peptide adsorbed onto gold nanoparticles.

scientific article published on 12 December 2017

Modeling of amorphous polyaniline emeraldine base.

scientific article published on August 2010

Modeling the Structural and Electronic Properties of an Optically Active Regioregular Polythiophene

Modeling the Tetraphenylalanine-PEG Hybrid Amphiphile: From DFT Calculations on the Peptide to Molecular Dynamics Simulations on the Conjugate ⬇️

scientific article published on June 23, 2011

Modeling the amorphous phase of comb-like polymers

Modified tannin extracted from black wattle tree as an environmentally friendly antifouling pigment

scholarly article in Industrial Crops and Products, vol. 65, March 2015

Molecular Dynamics Simulation Study of Methanesulfonic Acid

article

Molecular Dynamics Simulations of Surfactant·Poly(α,l-glutamate) Complexes in Chloroform Solution: Influence of the Chemical Constitution of the Surfactant in the Molecular Organization

article

Molecular Dynamics Study of Complexes of Poly(glutamate) and Dodecyltrimethylammonium

article

Molecular Structure and Proton Affinities of the 4H-1-Benzopyran-4-one Molecule and Its Hydroxylated Derivatives

scientific article published on 01 March 1999

Molecular characterization of l-phenylalanine terminated poly(l-lactide) conjugates

scholarly article in RSC Advances, vol. 4 no. 44, 2014

Molecular conformational analyses of dehydroalanine analogues

scientific article published in 1995

Molecular dynamics of a calix[4]arene-containing polymer in dichloromethane solution: ability of the solvent molecules to fill the cavity of the macrocycle.

scientific article published in June 2008

Molecular insights into aggregates made of amphiphilic Fmoc-tetrapeptides

Molecular mechanics and molecular dynamics simulations of the hexagonal crystalline form of the helical polyamide poly(α-isobutyl-l-aspartate)

article

Morphology and growing of nanometric multilayered films formed by alternated layers of poly(3,4-ethylenedioxythiophene) and poly(N-methylpyrrole)

Morphology and structure of poly(p-dioxanone)

Motion and sorption of gas molecules in poly(octadecyl acrylate)

N-Amination of Peptides: A Theoretical Study

N-acetyl-N'-methylamide derivative of (2S,3S)-1-amino-2,3-diphenylcyclopropanecarboxylic acid: theoretical analysis of the conformational impact produced by the incorporation of the second phenyl group to the cyclopropane analogue of phenylalanine.

scientific article published in September 2003

NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids

scientific article

Nanobiology: from physics and engineering to biology

Nanomembranes and Nanofibers from Biodegradable Conducting Polymers

scholarly article by Elena Llorens et al published 17 September 2013 in Polymers

Nanometric polythiophene films with electrocatalytic activity for non-enzymatic detection of glucose

Nanometric ultracapacitors fabricated using multilayer of conducting polymers on self-assembled octanethiol monolayers

Nanoparticle-induced vascular blockade in human prostate cancer

scientific article

Nanoperforations in poly(lactic acid) free-standing nanomembranes to promote interactions with cell filopodia

Nanophase-segregation in the dielectric layer enhances the charge storage capacity of polymeric electrochemical supercapacitors

Nanostructure design using protein building blocks enhanced by conformationally constrained synthetic residues

scientific article

Nanostructured conducting polymer for dopamine detection

scholarly article by Mireia Martí et al published 2010 in Journal of Materials Chemistry

Nanotheranostic Interface Based on Antibiotic-Loaded Conducting Polymer Nanoparticles for Real-Time Monitoring of Bacterial Growth Inhibition

scientific article published on 18 December 2020

New insights into the characterization of poly(3-chlorothiophene) for electrochromic devices

article published in 2012

New sulfonated polystyrene and styrene-ethylene/butylene-styrene block copolymers for applications in electrodialysis.

scientific article published on 19 September 2012

Novel Biobased Epoxy Thermosets and Coatings from Poly(limonene carbonate) Oxide and Synthetic Hardeners

scientific article published on 18 February 2022

Novel Epoxy Coating Based on DMSO as a Green Solvent, Reducing Drastically the Volatile Organic Compound Content and Using Conducting Polymers As a Nontoxic Anticorrosive Pigment

article

On the Ability of Modified Peptide Links to Form Hydrogen Bonds

On the Crystal Structure of Poly(α-benzyl γ,dl-glutamate) of Microbial Origin

On the Crystalline Structure of Even Polyoxalamides

On the Lamellar Crystal Structure of Nylons 6,8 and 8,10: A Study Combining Electron Microscopy and Energy Analysis

On the Phase B of Comb-Like Poly(α-alkyl-β-L-aspartate)s: A Simulation of the Solubility of Small Penetrants

On the helical conformation of un-ionized poly(γ-d-glutamic acid)

scientific article published on 01 October 1998

On the modeling of aggregates of an optically active regioregular polythiophene

scientific article published on 10 January 2012

On the molecular properties of polyaniline: A comprehensive theoretical study

On the protonation equilibrium for the benzimidazole derivative Hoechst 33258: an electronic molecular orbital study

scientific article published in October 2002

On the reliability of MINDO/3, MNDO and AM1 radical geometries for the computation of INDO electron spin resonance hyperfine coupling constants

On the structural and electronic properties of poly(3-thiophen-3-yl-acrylic acid methyl ester)

On the suitability of semiempirical calculations as sources of force field parameters.

scientific article published in August 1992

On the π-stacking of oxidized thiophene oligomers

PAPQMD/AM1 Parametrization of the bonded term of aromatic biomolecules

scientific article published in 1994

Paradigm Shift for Preparing Versatile M2+-Free Gels from Unmodified Sodium Alginate.

scientific article

Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s.

scientific article published in June 2010

Partial replacement of metallic zinc dust in heavy duty protective coatings by conducting polymer

Pastes and hydrogels from carboxymethyl cellulose sodium salt as supporting electrolyte of solid electrochemical supercapacitors

scientific article published on 06 August 2018

PepMat 2016: the second conference on peptide-based materials for biomedicine and nanotechnology

scientific article published on 30 January 2017

Peptide Self-Assembly into Hydrogels for Biomedical Applications Related to Hydroxyapatite

scientific article published on 06 March 2019

Peptide δ-Turn: Literature Survey and Recent Progress

scientific article published on 4 August 2015

Peptide-based materials: from nanostructures to applications

Perchloro-2-methylnaphthalene, a Novel Chlorocarbon with a Highly Strained Structure

Performance of SuSi: a method for generating atomistic models of amorphous polymers based on a random search of energy minima.

scientific article published in April 2004

Permeation Properties of the Stereoregular Nylon-3 Analogue, Poly(α-hexyl β-l-aspartate)

Phage-Display-Derived Peptide Binds to Human CD206 and Modeling Reveals a New Binding Site on the Receptor

scientific article published on 27 February 2019

Plasma functionalized surface of commodity polymers for dopamine detection

scholarly article by Georgina Fabregat et al published March 2017 in Applied Surface Science

Plasma surface modification of polymers for sensor applications

scientific article published on 01 October 2018

Plasma-treated polyethylene as electrochemical mediator for enzymatic glucose sensors: Toward bifunctional glucose and dopamine sensors

scholarly article by Jorge J. Buendía et al published 23 August 2017 in Plasma Processes and Polymers

Poly(2-thiophen-3-yl-malonic acid), a polythiophene with two carboxylic acids per repeating unit

scientific article published in May 2010

Poly(3,4-ethylenedioxythiophene) on self-assembled alkanethiol monolayers for corrosion protection

Poly(3-alkylthiophene)s as anticorrosive additive for paints: Influence of the main chain stereoregularity

Poly(α-butyl β-L-aspartate): A second alkoxycarbonyl nylon-3 derivative in helical conformation

Poly(γ-glutamic acid) in Aqueous Solution: Molecular Dynamics Simulations of 10- and 20-Residue Chains at Different Temperatures ⬇️

scientific article published on 01 January 2001

Poly-γ-glutamic Acid Hydrogels as Electrolyte for Poly(3,4-ethylenedioxythiophene)-Based Supercapacitors

article published in 2017

Polyaniline Emeraldine Salt in the Amorphous Solid State: Polaron versus Bipolaron

scientific article published on 19 September 2014

Polyaniline, polypyrrole and poly(3,4-ethylenedioxythiophene) as additives of organic coatings to prevent corrosion

article

Polymers and oligomers derived from pyrrole and N-hydroxymethylpyrrole: A theoretical analysis of the structural and electronic properties

Polypropylene mesh for hernia repair with controllable cell adhesion/de-adhesion properties

scientific article published on 15 January 2020

Polypyrrole derivatives as solvent vapor sensors

scholarly article in RSC Advances, vol. 3 no. 43, 2013

Polypyrrole-supported membrane proteins for bio-inspired ion channels

scientific article

Polythiophene-g-poly(ethylene glycol) graft copolymers for electroactive scaffolds

scientific article published on 08 July 2013

Powering the future: application of cellulose-based materials for supercapacitors

Preferences of the Oxalamide and Hydrazide Moieties in Vacuum and Aqueous Solution. A Comparison with the Amide Functionality

Preparation and Applications of Hydroxyapatite Nanocomposites Based on Biodegradable and Natural Polymers

scholarly article published 5 December 2014

Preparation and Characterization of Poly(N-Methylpyrrole)/MoO3 Hybrid Composites

Preparation and characterization of semiconducting polymeric blends. Photochemical synthesis of poly(3-alkylthiophenes) using host microporous matrices of poly(vinylidene fluoride)

Principles of Shape-Driven Nanostructure Design via Self-Assembly of Protein Building Blocks

Principles of nanostructure design with protein building blocks

scientific article

Properties of Cu nanoparticles-poly(N-methylpyrrole) composites

article published in 2014

Properties of In situ polymerized poly(3,4-ethylenedioxythiophene)/alumina composites for energy storage applications

Properties of Omp2a-Based Supported Lipid Bilayers: Comparison with Polymeric Bioinspired Membranes

scientific article published on 13 August 2018

Properties of nanometric and micrometric multilayered films made of three conducting polymers

Properties of nanometric and submicrometric multilayered films of poly(3,4-ethylenedioxythiophene) and poly(N-methylpyrrole)

Properties of oligothiophene dendrimers as a function of molecular architecture and generation number.

scientific article published on 27 January 2012

Properties of poly(3-halidethiophene)s

scientific article published on 14 June 2012

Protective Coatings for Aluminum Alloy Based on Hyperbranched 1,4-Polytriazoles

scientific article published on 9 January 2017

Protein segments with conformationally restricted amino acids can control supramolecular organization at the nanoscale

scientific article published in July 2009

Protonation of the side group in beta- and gamma-aminated proline analogues: effects on the conformational preferences

scientific article

Prototyping flexible supercapacitors produced with biohydrogel

Relaxation of amorphous multichain polymer systems using inverse kinematics

Reliability of the density functional approximation to describe the charge transfer and electrostatic complexes involved in the modeling of organic conducting polymers.

scientific article

Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach

Response of Crown Ether Functionalized Polythiophenes to Alkaline Ions

article

Restricted Puckering of Mineralized RNA-Like Riboses

scientific article published on 01 May 2014

Retromodified Residues: Small Peptides and Polymers. Interactions, Force-Field Parametrization and Conformational Analyses

Reviewing Extrapolation Procedures of the Electronic Properties on the π-Conjugated Polymer Limit

article

Revisiting the Self-Assembly of Highly Aromatic Phenylalanine Homopeptides

scientific article published on 20 December 2020

SCF-MO study of the polyglycine II structure

scientific article published on 01 April 1993

SCF-MO study of the polyhydration of N,N′ -dimethylmalonamide

scientific article published on 01 June 1993

SCF-MO study of the preferred conformation of a symmetric malonamide derivative: N,N' -dimethyl malonamide

SCF-MO study of the preferred conformations of nylons 1,n

SYNTHESIS OF BENZOFURANOFURAN DERIVATIVES: MODEL OF NATURAL PRODUCTS

Scaffolds for Sustained Release of Ambroxol Hydrochloride, a Pharmacological Chaperone That Increases the Activity of Misfolded β-Glucocerebrosidase

scientific article published on 21 June 2019

Selective Detection of Dopamine Combining Multilayers of Conducting Polymers with Gold Nanoparticles

scientific article published on 21 April 2014

Self-Assembly of Lipopeptides Containing Short Peptide Fragments Derived from the Gastrointestinal Hormone PYY3–36: From Micelles to Amyloid Fibrils

scientific article published on 14 January 2019

Self-Assembly of Tetraphenylalanine Peptides

scientific article published on 30 September 2015

Self-assembled fibrillar networks of a multifaceted chiral squaramide: supramolecular multistimuli-responsive alcogels.

scientific article published on 18 April 2016

Self-assembly of Fmoc-tetrapeptides based on the RGDS cell adhesion motif

Self-assembly of a designed amyloid peptide containing the functional thienylalanine unit

scientific article

Self-assembly of diphenylalanine with preclick components as capping groups.

scientific article published on 29 September 2017

Semi-Interpenetrated Hydrogels-Microfibers Electroactive Assemblies for Release and Real-Time Monitoring of Drugs

scientific article published on 25 May 2020

Semiconducting, biodegradable and bioactive fibers for drug delivery

scholarly article by M. M. Perez-Madrigal et al published 2016 in EXPRESS polymer letters

Sensing abilities of crown ether functionalized polythiophenes.

scientific article published in January 2009

Sensing mechanism of calix[4]arene-substituted poly(thiophene) ion receptor: effects of the selectivity on the molecular rigidity.

scientific article

Sensitive thermal transitions of nanoscale polymer samples using the bimetallic effect: application to ultra-thin polythiophene.

scientific article published in May 2013

Sequence dependence of C-end rule peptides in binding and activation of neuropilin-1 receptor

scientific article

Side-chain to backbone interactions dictate the conformational preferences of a cyclopentane arginine analogue

scientific article published on March 2009

Silane and epoxy coatings: A bilayer system to protect AA2024 alloy

Simulation of Amorphous Nylon 6 Using SuSi, a Strategy Based on Generation–Relaxation Algorithms

Simulation of dense amorphous polymers by generating representative atomistic models

article

Simulation of the self-assembly of poly(α-glutamate) and dodecyltrimethylammonium: Diffusive role of the surfactant cations

article published in 2008

Smart Drug Delivery from Electrospun Fibers through Electroresponsive Polymeric Nanoparticles

Smart Paint for anodic protection of steel

Solubility of N2 in poly(α-n-hexyl-β,L-aspartate): Temperature and force-field dependence

Solvation of 2,2′-bithiophene: Influence of the first solvation shell in the properties of π-conjugated systems

Solvatochromism of dye-labeled dendronized polymers of generation numbers 1-4: comparison to dendrimers

scientific article published on 15 April 2016

Solvent effects on the properties of hyperbranched polythiophenes

scientific article published on 19 August 2016

Solvent-induced conformational flexibility of a bicyclic proline analogue: Octahydroindole-2-carboxylic acid

scientific article published on 01 March 2014

Sol–gel hybrid films based on organosilane and montmorillonite for corrosion inhibition of AA2024

scientific article published on 18 April 2014

Specific Interactions in Complexes Formed by DNA and Conducting Polymer Building Blocks: Guanine and 3,4-(Ethylenedioxy)thiophene

scientific article published on 28 October 2011

Specific interactions in complexes formed by polythiophene derivatives bearing polar side groups and plasmid DNA

Stability of tubular structures based on beta-helical proteins: self-assembled versus polymerized nanoconstructs and wild-type versus mutated sequences

scientific article

Stabilization of rasburicase and physico-chemical characterization of the resulting injectable formulation

scientific article published in September 2004

Stochastic simulation of structural properties of natively unfolded and denatured proteins.

scientific article published on 29 May 2012

Structural analysis of a beta-helical protein motif stabilized by targeted replacements with conformationally constrained amino acids

scientific article published on 24 September 2008

Structural and Electronic Properties of Poly[N-(2-cyanoalkyl)pyrrole]s Bearing Small Alkyl Groups

scientific article published on 09 March 2011

Structural and electronic effects induced by carboxylic acid substitution in isomeric 2,2′-bithiophenes and oligothiophenes: A computational study

Structural and electronic properties of 3,4-ethylenedioxythiophene, 3,4-ethylenedisulfanylfurane and thiophene oligomers: A theoretical investigation

Structural and electronic properties of poly(3-thiophen-3-yl-acrylic acid)

Structural and electronic properties of poly(thiaheterohelicene)s.

scientific article published in November 2009

Structural and functional characterization of Solanum tuberosum VDAC36

scientific article published on 12 December 2019

Structure and dynamics of the surfactant molecules in dodecyltrimethylammonium·poly(α,l-glutamate) self-assembled complexes

Structure by design: from single proteins and their building blocks to nanostructures

scientific article

Structure of Nylon 46 Lamellar Crystals: An Investigation Including Adjacent Chain Folding

article published in 2000

Structure of the Extended Crystal Forms of Nylon-6

article published in 2000

Study of epoxy and alkyd coatings modified with emeraldine base form of polyaniline

Suitability of the PM3-derived molecular electrostatic potentials

Surviving Mass Extinctions through Biomineralized DNA.

scientific article published on 6 November 2015

Sustainable Solid-State Supercapacitors Made of 3D-Poly(3,4-ethylenedioxythiophene) and κ-Carrageenan Biohydrogel

Sustainable synthesis of amino acids by catalytic fixation of molecular dinitrogen and carbon dioxide

Symmetric Supercapacitors Based on Multilayers of Conducting Polymers

Synergistic Computational-Experimental Approach to Improve Ionene Polymer-Based Functional Hydrogels

article published in 2014

Synergistic approach to elucidate the incorporation of magnesium ions into hydroxyapatite.

scientific article published on 12 December 2014

Synergy of the redox pair in the capacitive properties of nanometric poly(3,4-ethylenedioxythiophene)

Synthesis and evaluation of a PVDF–PT3MA–Zn2SiO4:Mn hybrid polymeric composite for optical device applications

Synthesis, Properties, and X-ray Structure of 6-Aza-5,7,12,14-tetrathiapentacene as a Novel Polyheterocyclic Electron Donor, and Related Compounds

Systematic evaluation of the conformational properties of aliphatic omega-hydroxy acids.

scientific article published in April 2005

Systematic evaluation of the conformational properties of aliphatic omega-methoxy methyl esters.

scientific article

Tailoring the self-assembly of a tripeptide for the formation of antimicrobial surfaces

scientific article published on 01 May 2019

Testing beta-helix terminal coils stability by targeted substitutions with non-proteogenic amino acids: a molecular dynamics study

scientific article published on 22 August 2007

Tethering of the IgG1 Antibody to Amorphous Silica for Immunosensor Development: A Molecular Dynamics Study

scientific article published on 15 October 2020

Thallium(III) Trifluoroacetate-Trifluoroacetic Acid in the Chemistry of Polythiophenes. 1. Polymers from 2,2'-Bithiophene and 2,2',5',2''-Terthiophene. Mechanistic Aspects

article published in 1994

The Conformation and Aggregation of Proline-Rich Surfactant-Like Peptides

scientific article published on 22 January 2018

The biocompatible polythiophene-g-polycaprolactone copolymer as an efficient dopamine sensor platform

scholarly article by Brenda G. Molina et al published 2017 in Polymer Chemistry

The conformation of dehydroalanine in short homopeptides: molecular dynamics simulations of a 6-residue chain.

scientific article

The energy landscape of a selective tumor-homing pentapeptide

scientific article

The fully-extended conformation in peptides and proteins

The influence of organophosphonic acid and conducting polymer on the adhesion and protection of epoxy coating on aluminium alloy

The keto–amino/enol tautomerism of cytosine in aqueous solution. A theoretical study using combined discrete/self-consistent reaction field models

article

The mechanism of adhesion and graft polymerization of a PNIPAAm thermoresponsive hydrogel to polypropylene meshes

scientific article published on 01 April 2019

Theoretical Investigation of the 3,4-Ethylenedioxythiophene Dimer and Unsubstituted Heterocyclic Derivatives

Theoretical Investigation on the Rotational Isomerism of Calix[4]arenes: Influence of the Hydroxyl → Methoxy Replacement

scientific article published on 01 September 2005

Theoretical strategy to provide atomistic models of comblike polymers: a generation algorithm combined with configurational bias Monte Carlo

scientific article published in November 2004

Thermal stability of the secondary structure of poly(alpha,L-glutamate) in self-assembled complexes as studied by molecular dynamics in chloroform solution.

scientific article

Thermally induced phase transition in helical comblike poly(β-peptide)s: An atomistic simulation

scientific article published on 01 April 2003

Thermodynamic and stereochemical aspects of the polymerizability of glycolide and lactide

Thermodynamic control of the polymerizability of five-, six-, and seven-membered lactones.

scientific article published in August 2009

Thermomechanical Response of a Representative Porin for Biomimetics

scientific article published on 13 July 2018

Thermoplastic polyurethane:polythiophene nanomembranes for biomedical and biotechnological applications.

scientific article

Toward an Understanding of the Drug−DNA Recognition Mechanism. Hydrogen-Bond Strength in Netropsin−DNA Complexes

Towards sustainable solid-state supercapacitors: electroactive conducting polymers combined with biohydrogels

Transport and antifouling properties of papain-based antifouling coatings

article published in 2015

Transport of Metallic Ions through Polyaniline-Containing Composite Membranes

article published in 2010

Transport of hydronium ions inside poly(styrene-co-divinyl benzene) cation exchange membranes

Ultraporous poly(3,4-ethylenedioxythiophene) for nanometric electrochemical supercapacitor

Ultrathin Films of Polypyrrole Derivatives for Dopamine Detection

scholarly article by Georgina Fabregat et al published 12 July 2011 in Journal of Physical Chemistry C

Unusually High Pyramidal Geometry of the Bicyclic Amide Nitrogen in a Complex 7-Azabicyclo[2.2.1]heptane Derivative: Theoretical Analysis Using a Bottom-up Strategy

article

Use of constrained synthetic amino acids in beta-helix proteins for conformational control

scientific article published on 8 March 2007

Water absorbed by polyaniline emeraldine tends to organize, forming nanodrops.

scientific article

Water absorption in polyaniline emeraldine base

article published in 2011

Weighing biointeractions between fibrin(ogen) and clot-binding peptides using microcantilever sensors

scientific article published on 14 November 2016

Why delta-valerolactone polymerizes and gamma-butyrolactone does not.

scientific article published on 7 March 2008

α-Alkyl cysteine-coated gold nanoparticles: effect of Cα-tetrasubstitution on colloidal stability

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