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List of works by Mattia Falconi

A Simple and Fast Semiautomatic Procedure for the Atomistic Modeling of Complex DNA Polyhedra

scientific article published on 6 April 2016

A model for the incorporation of metal from the copper chaperone CCS into Cu,Zn superoxide dismutase

scientific article published on 01 August 1999

A molecular dynamics simulation study decodes the early stage of the disassembly process abolishing the human SAMHD1 function

scientific article published on March 2017

A natural anticancer agent thaspine targets human topoisomerase IB.

scientific article published in February 2013

A new nitrobenzoxadiazole-based GSTP1-1 inhibitor with a previously unheard of mechanism of action and high stability

scientific article published on December 2017

A spectroscopic and molecular dynamics study of native and of a mutant of Xenopus laevis Cu,Zn superoxide dismutase: mechanistic consequences of replacing four charged amino acids on the `electrostatic' loop

scientific article published on 01 December 1998

A structural modeling approach for the understanding of initiation and elongation of ALS-linked superoxide dismutase fibrils ⬇️

scientific article published on June 19, 2013

ADP/ATP mitochondrial carrier MD simulations to shed light on the structural-dynamical events that, after an additional mutation, restore the function in a pathological single mutant

scientific article published on 3 August 2010

Active-site copper and zinc ions modulate the quaternary structure of prokaryotic Cu,Zn superoxide dismutase

scientific article (publication date: 7 March 2003)

Adipocyte metabolism is improved by TNF receptor-targeting small RNAs identified from dried nuts

scientific article published on 21 August 2019

An electrostatic enzyme-substrate recognition: the case of Cu, Zn superoxide dismutase

Antifungal activity of L. (Sapindaceae) against occurs through molecular interaction with fungal Hsp90

scientific article published on 12 July 2018

Antimicrobial properties of the medicinal plant Cardiospermum halicacabum L: new evidence and future perspectives

scientific article published on 01 August 2019

BC1-FMRP interaction is modulated by 2'-O-methylation: RNA-binding activity of the tudor domain and translational regulation at synapses

scientific article

Binding to DPF-motif by the POB1 EH domain is responsible for POB1-Eps15 interaction

scientific article

Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: in silico and in vitro evidences

scientific article published on 11 June 2012

Characterization of a novel CYP2C9 gene mutation and structural bioinformatic protein analysis in a warfarin hypersensitive patient

scientific article published on June 2011

Comparative simulative analysis of single and double stranded truncated octahedral DNA nanocages

scholarly article in RSC Advances, vol. 6 no. 42, 2016

Computer-graphical analysis of the electrostatic inter- actions in an enzyme

Conjugated eicosapentaenoic acid inhibits human topoisomerase IB with a mechanism different from camptothecin

scientific article

Conservation of local electric fields in the evolution of Cu,Zn superoxide dismutase

scientific article published in June 1989

Conserved Enzyme-Substrate Electrostatic Attraction in Prokaryotic Cu,Zn Superoxide Dismutases

scientific article published on 01 March 1998

Copper-Zinc Superoxide Dismutase in Prokaryotes and Eukaryotes

Copper-Zinc Superoxide Dismutase in Prokaryotes and Eukaryotes

Crystal structure of yeast Cu,Zn superoxide dismutase. Crystallographic refinement at 2.5 A resolution

scientific article

Crystal structure solution and refinement of the semisynthetic cobalt-substituted bovine erythrocyte superoxide dismutase at 2.0 A resolution

scientific article

Crystallographic characterization and three-dimensional model of yeast Cu,Zn superoxide dismutase

article

DNA hairpins promote temperature controlled cargo encapsulation in a truncated octahedral nanocage structure family

scientific article published on 24 June 2016

Deciphering the Role of Trehalose in Chroococcidiopsis sp. 029’s High-Desiccation Resistance: Sequence Determination, Structural Modelling and Simulative Analysis of the 30S Ribosomal Subunit

scientific article published in 2024

Deciphering the structural properties that confer stability to a DNA nanocage.

scientific article

Decoding the conformation-linked functional properties of nucleic acids by the use of computational tools

scientific article published on 19 May 2015

Design of a novel LOX-1 receptor antagonist mimicking the natural substrate

scientific article published on 26 July 2013

Dimer asymmetry in superoxide dismutase studied by molecular dynamics simulation

scientific article published on 01 October 1996

Docking simulation and competitive experiments validate the interaction between the 2,5-xylidine inhibitor and Rigidoporus lignosus laccase

scientific article published in February 2010

Dynamical Behavior of the Human Ferroportin Homologue from Bdellovibrio bacteriovorus: Insight into the Ligand Recognition Mechanism

scientific article published on 16 September 2020

Dynamics-function correlation in Cu, Zn superoxide dismutase: a spectroscopic and molecular dynamics simulation study

scientific article

Effect of Lys→Arg mutation on the thermal stability of Cu,Zn superoxide dismutase: influence on the monomer–dimer equilibrium

scientific article published on 01 April 1996

Effect of the charge distribution along the "ferritin-like" pores of the proteins from the Dps family on the iron incorporation process

scientific article

Effective binding force calculation in a dimeric protein by molecular dynamics simulation

Electrostatic recognition in redox copper proteins: a 1H NMR study of the protonation behavior of His 19 in oxidized and reduced Cu,Zn superoxide dismutase

scientific article published in March 1993

Engineering a responsive DNA triple helix into an octahedral DNA nanostructure for a reversible opening/closing switching mechanism: a computational and experimental integrated study

scientific article published on 01 November 2018

Evolutionary conservativeness of electric field in the Cu,Zn superoxide dismutase active site. Evidence for co-ordinated mutation of charged amino acid residues

scientific article published in January 1992

Evolutionary constraints for dimer formation in prokaryotic Cu,Zn superoxide dismutase

scientific article

Experimental and simulative dissociation of dimeric Cu,Zn superoxide dismutase doubly mutated at the intersubunit surface

scientific article

Flexibility in monomeric Cu,Zn superoxide dismutase detected by limited proteolysis and molecular dynamics simulation.

scientific article published in June 2002

Frataxin deficiency induces lipid accumulation and affects thermogenesis in brown adipose tissue

scientific article published on 23 January 2020

Functional analysis and molecular dynamics simulation of LOX-1 K167N polymorphism reveal alteration of receptor activity

scientific article

Functional modulation of the Thr72→Ile mutant from Scapharca inaequivalvis homodimeric hemoglobin

scientific article published on 01 December 1999

High warfarin sensitivity in carriers of CYP2C9*35 is determined by the impaired interaction with P450 oxidoreductase.

scientific article published on 10 December 2013

Influence of the single-strand linker composition on the structural/dynamical properties of a truncated octahedral DNA nano-cage family.

scientific article published on October 2014

Intrinsic Dynamics Analysis of a DNA Octahedron by Elastic Network Model

Is the activity-linked electrostatic gradient of bovine Cu, Zn superoxide dismutases conserved in homologous enzymes irrespective of the number and distribution of charges?

scientific article published on 01 January 1988

JNK3 as a therapeutic target for neurodegenerative diseases

scientific article published on January 2011

Luteolin-7-O-β-d-Glucoside Inhibits Cellular Energy Production Interacting with HEK2 in Keratinocytes

scientific article published on 31 May 2019

MD simulations of papillomavirus DNA-E2 protein complexes hints at a protein structural code for DNA deformation.

scientific article

Mapping multiple potential ATP binding sites on the matrix side of the bovine ADP/ATP carrier by the combined use of MD simulation and docking

scientific article published on 12 October 2011

Mapping the copper ligands of Cu,Zn superoxide dismutase by nuclear Overhauser enhancement of the isotropically shifted 1H-NMR lines of the Cu,Co derivative

scientific article published on February 1990

Membrane-perturbing activity ofViperidae myotoxins: an electrostatic surface potential approach to a puzzling problem

scientific article published on 01 January 2000

Modelling the three-dimensional structure and electrostatic potential field of the two Cu,Zn superoxide dismutase variants from Xenopus laevis.

scientific article

Molecular Modeling and Dynamics of Copper Proteins

article

Molecular Modeling and Electrostatic Potential Calculations on Chemically Modified Cu,Zn Superoxide Dismutases from Bos taurus and Shark Prionace glauca: Role of Lys134 in Electrostatically Steering the Substrate to the Active Site

scientific article published on 01 July 1994

Molecular dynamics characterization of the SAMHD1 Aicardi–Goutières Arg145Gln mutant: structural determinants for the impaired tetramerization

article

Molecular dynamics of the DNA-binding domain of the papillomavirus E2 transcriptional regulator uncover differential properties for DNA target accommodation.

scientific article

Molecular dynamics simulation of human LOX-1 provides an explanation for the lack of OxLDL binding to the Trp150Ala mutant

scientific article

Molecular dynamics simulation of matrix metalloproteinase 2: fluctuations and time evolution of recognition pockets

scientific article published in December 2003

Molecular dynamics simulation of solvated azurin: Correlation between surface solvent accessibility and water residence times

article

Molecular dynamics simulation of the C-terminal sterile alpha-motif domain of human p73alpha: evidence of a dynamical relationship between helices 3 and 5.

scientific article published in April 2004

Molecular dynamics simulation of the antimicrobial salivary peptide histatin-5 in water and in trifluoroethanol: a microscopic description of the water destructuring effect

scientific article published in July 2001

Molecular dynamics simulations of Cu,Zn superoxide dismutase: effect of temperature on dimer asymmetry

scientific article published on 01 October 1999

Molecular dynamics simulations of the Trp repressor–DNA complex and the AV77 mutant

Molecular dynamics simulations show how the FMRP Ile304Asn mutation destabilizes the KH2 domain structure and affects its function

scientific article

Molecular mechanism of statin-mediated LOX-1 inhibition

scientific article

Multiple molecular dynamics simulations of human LOX-1 and Trp150Ala mutant reveal the structural determinants causing the full deactivation of the receptor

scientific article

NMR Structure of the p63 SAM Domain and Dynamical Properties of G534V and T537P Pathological Mutants, Identified in the AEC Syndrome

scientific article published on 01 January 2006

Oleuropein shows copper complexing properties and noxious effect on cultured SH-SY5Y neuroblastoma cells depending on cell copper content

scientific article published on 05 August 2017

Peculiar spectroscopic and kinetic properties of Cys-47 in human placental glutathione transferase. Evidence for an atypical thiolate ion pair near the active site

scientific article published in Journal of Biological Chemistry

Polymorphism in Mitochondrial Coding Regions of Mediterranean Loggerhead Turtles: Evolutionary Relevance and Structural Effects

scientific article

Potential Use of Tea Tree Oil as a Disinfectant Agent against Coronaviruses: A Combined Experimental and Simulation Study

scientific article published on 13 June 2022

Probing the Functional Topology of a pH-Dependent Triple Helix DNA Nanoswitch Family through Gaussian Accelerated MD Simulation

scientific article published on 22 May 2019

Prokaryotic Cu,Zn superoxide dismutases

scientific article

Properties of Purified Cytosolic Isoenzyme I of Cu,Zn-Superoxide Dismutase from Nicotiana plumbaginifolia Leaves

scientific article published on 01 November 2001

Real-time detection of TDP1 activity using a fluorophore-quencher coupled DNA-biosensor

scientific article published on 25 April 2013

Receptor-Mediated Entry of Pristine Octahedral DNA Nanocages in Mammalian Cells

Role of 13-(di)phenylalkyl berberine derivatives in the modulation of the activity of human topoisomerase IB.

scientific article published on 14 March 2015

Role of the Helix Capping in the Stability of the Mouse Prion (180–213) Segment: Investigation through Molecular Dynamics Simulations

scientific article published on 01 October 2001

Role of the electrostatic loop of Cu,Zn superoxide dismutase in the copper uptake process

scientific article

SSADH deficiency in an Italian family: a novel ALDH5A1 gene mutation affecting the succinic semialdehyde substrate binding site

scientific article

Salmonella enterica serovar Typhimurium growth is inhibited by the concomitant binding of Zn(II) and a pyrrolyl-hydroxamate to ZnuA, the soluble component of the ZnuABC transporter

scientific article

Screening of EDA1 Gene in X-Linked Anhidrotic Ectodermal Dysplasia Using DHPLC: Identification of 14 Novel Mutations in Italian Patients

article

Simulative Analysis of a Truncated Octahedral DNA Nanocage Family Indicates the Single-Stranded Thymidine Linkers as the Major Player for the Conformational Variability

Simulative and Experimental Characterization of a pH-Dependent Clamp-like DNA Triple-Helix Nanoswitch

scientific article

Simulative and experimental investigation on the cleavage site that generates the soluble human LOX-1.

scientific article published on 7 October 2013

Single mutation at the intersubunit interface confers extra efficiency to Cu,Zn superoxide dismutase

scientific article published on 01 October 2000

Single mutation in the linker domain confers protein flexibility and camptothecin resistance to human topoisomerase I.

scientific article

Specific miRNA and Gene Deregulation Characterize the Increased Angiogenic Remodeling of Thoracic Aneurysmatic Aortopathy in Marfan Syndrome

scientific article published on 19 September 2020

Spectroscopic and molecular dynamics simulation studies of the interaction of insulin with glucose.

scientific article

Static and dynamic water molecules in Cu,Zn superoxide dismutase

scientific article published on 01 June 2003

Structural and dynamic properties of the homodimeric hemoglobin from Scapharca inaequivalvis Thr-72-->Ile mutant: molecular dynamics simulation, low temperature visible absorption spectroscopy, and resonance Raman spectroscopy studies

scientific article

Structural dynamics of the mitochondrial ADP/ATP carrier revealed by molecular dynamics simulation studies

scientific article

Structural insights into the multi-determinant aggregation of TDP-43 in motor neuron-like cells.

scientific article published on 15 June 2016

Structural modeling of altered CLCN1 conformation following a novel mutation in a patient affected by autosomal dominant myotonia congenita (Thomsen disease).

scientific article published in December 2017

Structural-dynamical investigation of the ZnuA histidine-rich loop: involvement in zinc management and transport

scientific article published on 15 January 2011

Structure and Stability of the Insulin Dimer Investigated by Molecular Dynamics Simulation

scientific article published on 01 April 2001

Structure of nanoscale truncated octahedral DNA cages: variation of single-stranded linker regions and influence on assembly yields.

scientific article published in March 2010

Structure solution and molecular dynamics refinement of the yeast Cu,Zn enzyme superoxide dismutase

scientific article

Substrate-induced conformational changes of the mitochondrial oxoglutarate carrier: a spectroscopic and molecular modelling study

scientific article published in September 2005

Succinic semialdehyde dehydrogenase deficiency: The combination of a novel ALDH5A1 gene mutation and a missense SNP strongly affects SSADH enzyme activity and stability

article

Superefficient enzymes

scientific article (publication date: September 2001)

Superoxide dismutase kinetics

scientific article published in January 2002

Synthesis and structure--activity relationship of new cytotoxic agents targeting human glutathione-S-transferases

scientific article

Temperature-Controlled Encapsulation and Release of an Active Enzyme in the Cavity of a Self-Assembled DNA Nanocage

scientific article published on 01 November 2013

The Salmonella enterica ZinT structure, zinc affinity and interaction with the high-affinity uptake protein ZnuA provide insight into the management of periplasmic zinc

scientific article

The essential dynamics of Cu, Zn superoxide dismutase: suggestion of intersubunit communication

scientific article

The fragile X syndrome protein represses activity-dependent translation through CYFIP1, a new 4E-BP

scientific article

The relevance of piroxicam for the prevention and treatment of nonmelanoma skin cancer and its precursors

scientific article

Thermophilicity of wild type and mutant cold shock proteins by molecular dynamics simulation

scientific article published in June 2004

Virtual Screening for the Development of Dual-Inhibitors Targeting Topoisomerase IB and Tyrosyl-DNA Phosphodiesterase 1.

scientific article published on 27 July 2015

Zinc ion coordination as a modulating factor of the ZnuA histidine-rich loop flexibility: A molecular modeling and fluorescence spectroscopy study

scientific article published on 01 December 2012

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