List of works - Alex Bunker

A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety

scientific article published on 8 March 2017

A novel in silico framework to improve MHC-I epitopes and break the tolerance to melanoma.

scientific article published on 11 May 2017

Analysis of cause of failure of new targeting peptide in PEGylated liposome: molecular modeling as rational design tool for nanomedicine

article

Biophysical Characterization of Supported Lipid Bilayers Using Parallel Dual-Wavelength Surface Plasmon Resonance and Quartz Crystal Microbalance Measurements

scientific article published on 25 June 2018

Cholesterol Reduces Partitioning of Antifungal Drug Itraconazole into Lipid Bilayers

scientific article published on 05 March 2020

Cholesterol level affects surface charge of lipid membranes in saline solution

scientific article

Comparison of time-gated surface-enhanced raman spectroscopy (TG-SERS) and classical SERS based monitoring of Escherichia coli cultivation samples

article published in 2018

Control of Peptide Aggregation and Fibrillation by Physical PEGylation

scientific article published on 04 September 2018

Critical dynamics of the body-centered-cubic classical Heisenberg antiferromagnet

scientific article published on 01 October 1996

Design of cholesterol arabinogalactan anchored liposomes for asialoglycoprotein receptor mediated targeting to hepatocellular carcinoma: In silico modeling, in vitro and in vivo evaluation

scientific article published on 23 May 2016

Determinants of Orexin Receptor Binding and Activation-A Molecular Dynamics Study

scientific article published on 18 March 2019

Effect of PEGylation on Drug Entry into Lipid Bilayer

Effect of piroxicam on lipid membranes: Drug encapsulation and gastric toxicity aspects

scientific article

Effects of Membrane PEGylation on Entry and Location of Antifungal Drug Itraconazole and Their Pharmacological Implications

scientific article published on 24 February 2017

Effects of the Lipid Bilayer Phase State on the Water Membrane Interface

Electron-positron pair creation with capture and ionization in relativistic heavy-ion collisions by the finite-difference method

scientific article published on 01 September 1992

Fluid dynamics modeling for synchronizing surface plasmon resonance and quartz crystal microbalance as tools for biomolecular and targeted drug delivery studies

scientific article published on 25 April 2012

Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA.

scientific article published on 27 November 2012

Glycolipid membranes through atomistic simulations: effect of glucose and galactose head groups on lipid bilayer properties.

scientific article published on 3 August 2007

Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation

scientific article

In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

scientific article published on 21 February 2020

In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

scientific article published on 22 January 2020

Indocyanine Green-Loaded Liposomes for Light-Triggered Drug Release

scientific article published on 20 April 2016

Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies

scientific article published on 24 July 2017

Insight into the antimicrobial mechanism of action of β2,2-amino acid derivatives from molecular dynamics simulation: Dancing the can-can at the membrane surface

scientific article published on 31 July 2019

Interactions between chloramphenicol, carrier polymers and bacteria - implications for designing electrospun drug delivery systems countering wound infection.

scientific article published on 3 November 2017

Lipid Architectonics for Superior Oral Bioavailability of Nelfinavir Mesylate: Comparative in vitro and in vivo Assessment

scientific article published on 12 September 2018

Longitudinal magnetic excitations in classical spin systems

scientific article published on 01 September 2000

Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm

scientific article published on 15 February 2018

Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids

article

Molecular Dynamics Simulation of PEGylated Bilayer Interacting with Salt Ions: A Model of the Liposome Surface in the Bloodstream

article

Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation

article

Molecular Dynamics Simulations of the Bacterial ABC Transporter SAV1866 in the Closed Form

article

Molecular dynamics simulations of the enzyme catechol-O-methyltransferase: methodological issues.

scientific article

Molecular dynamics study of prolyl oligopeptidase with inhibitor in binding cavity.

scientific article

Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase

scientific article

Multiple-histogram Monte Carlo study of the Ising antiferromagnet on a stacked triangular lattice

scientific article published on 01 December 1993

Multiscale modeling of emergent materials: biological and soft matter

scientific article published on 25 February 2009

Oligomerization Alters Binding Affinity Between Amyloid Beta and a Modulator of Peptide Aggregation

scientific article published on 10 October 2017

Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the antitumor immunity and efficacy against melanoma.

scientific article

PEGylated Liposomes as Carriers of Hydrophobic Porphyrins

article published in 2015

Parallel excluded volume tempering for polymer melts.

scientific article published on 22 December 2000

Properties of the Membrane Binding Component of Catechol-O-methyltransferase Revealed by Atomistic Molecular Dynamics Simulations

article

Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation.

scientific article published on 22 February 2016

Reply to "Comment on 'Multiple-histogram Monte Carlo study of the Ising antiferromagnet on a stacked triangular lattice' "

scientific article published on 01 July 1995

Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators

scientific article published on 11 September 2020

Stearylated cycloarginine nanosystems for intracellular delivery – simulations, formulation and proof of concept

scholarly article in RSC Advances, vol. 6 no. 114, 2016

Strong preferences of dopamine and l-dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism

article

Study of Interaction Between PEG Carrier and Three Relevant Drug Molecules: Piroxicam, Paclitaxel, and Hematoporphyrin

Study of PEGylated Lipid Layers as a Model for PEGylated Liposome Surfaces: Molecular Dynamics Simulation and Langmuir Monolayer Studies

article

Tat(48-60) peptide amino acid sequence is not unique in its cell penetrating properties and cell-surface glycosaminoglycans inhibit its cellular uptake

scientific article

The effect of light sensitizer localization on the stability of indocyanine green liposomes

scientific article published on 28 June 2018

Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase.

scientific article

List of works by Alex Bunker

A computational study suggests that replacing PEG with PMOZ may increase exposure of hydrophobic targeting moiety

A novel in silico framework to improve MHC-I epitopes and break the tolerance to melanoma.

Analysis of cause of failure of new targeting peptide in PEGylated liposome: molecular modeling as rational design tool for nanomedicine

Biophysical Characterization of Supported Lipid Bilayers Using Parallel Dual-Wavelength Surface Plasmon Resonance and Quartz Crystal Microbalance Measurements

Cholesterol Reduces Partitioning of Antifungal Drug Itraconazole into Lipid Bilayers

Cholesterol level affects surface charge of lipid membranes in saline solution

Comparison of time-gated surface-enhanced raman spectroscopy (TG-SERS) and classical SERS based monitoring of Escherichia coli cultivation samples

Control of Peptide Aggregation and Fibrillation by Physical PEGylation

Critical dynamics of the body-centered-cubic classical Heisenberg antiferromagnet

Design of cholesterol arabinogalactan anchored liposomes for asialoglycoprotein receptor mediated targeting to hepatocellular carcinoma: In silico modeling, in vitro and in vivo evaluation

Determinants of Orexin Receptor Binding and Activation-A Molecular Dynamics Study

Effect of PEGylation on Drug Entry into Lipid Bilayer

Effect of piroxicam on lipid membranes: Drug encapsulation and gastric toxicity aspects

Effects of Membrane PEGylation on Entry and Location of Antifungal Drug Itraconazole and Their Pharmacological Implications

Effects of the Lipid Bilayer Phase State on the Water Membrane Interface

Electron-positron pair creation with capture and ionization in relativistic heavy-ion collisions by the finite-difference method

Fluid dynamics modeling for synchronizing surface plasmon resonance and quartz crystal microbalance as tools for biomolecular and targeted drug delivery studies

Force Biased Molecular Dynamics Simulation Study of Effect of Dendrimer Generation on Interaction with DNA.

Glycolipid membranes through atomistic simulations: effect of glucose and galactose head groups on lipid bilayer properties.

Hydrophobin film structure for HFBI and HFBII and mechanism for accelerated film formation

In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

In Vitro and in Vivo Behavior of Liposomes Decorated with PEGs with Different Chemical Features

Indocyanine Green-Loaded Liposomes for Light-Triggered Drug Release

Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies

Insight into the antimicrobial mechanism of action of β2,2-amino acid derivatives from molecular dynamics simulation: Dancing the can-can at the membrane surface

Interactions between chloramphenicol, carrier polymers and bacteria - implications for designing electrospun drug delivery systems countering wound infection.

Lipid Architectonics for Superior Oral Bioavailability of Nelfinavir Mesylate: Comparative in vitro and in vivo Assessment

Longitudinal magnetic excitations in classical spin systems

Membrane bound COMT isoform is an interfacial enzyme: general mechanism and new drug design paradigm

Molecular Dynamics Simulation of Inverse-Phosphocholine Lipids

Molecular Dynamics Simulation of PEGylated Bilayer Interacting with Salt Ions: A Model of the Liposome Surface in the Bloodstream

Molecular Dynamics Simulation of PEGylated Membranes with Cholesterol: Building Toward the DOXIL Formulation

Molecular Dynamics Simulations of the Bacterial ABC Transporter SAV1866 in the Closed Form

Molecular dynamics simulations of the enzyme catechol-O-methyltransferase: methodological issues.

Molecular dynamics study of prolyl oligopeptidase with inhibitor in binding cavity.

Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase

Multiple-histogram Monte Carlo study of the Ising antiferromagnet on a stacked triangular lattice

Multiscale modeling of emergent materials: biological and soft matter

Oligomerization Alters Binding Affinity Between Amyloid Beta and a Modulator of Peptide Aggregation

Oncolytic adenoviruses coated with MHC-I tumor epitopes increase the antitumor immunity and efficacy against melanoma.

PEGylated Liposomes as Carriers of Hydrophobic Porphyrins

Parallel excluded volume tempering for polymer melts.

Properties of the Membrane Binding Component of Catechol-O-methyltransferase Revealed by Atomistic Molecular Dynamics Simulations

Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their PEGylation.

Reply to "Comment on 'Multiple-histogram Monte Carlo study of the Ising antiferromagnet on a stacked triangular lattice' "

Rigorous computational study reveals what docking overlooks: Double trouble from membrane association in protein kinase C modulators

Stearylated cycloarginine nanosystems for intracellular delivery – simulations, formulation and proof of concept

Strong preferences of dopamine and l-dopa towards lipid head group: importance of lipid composition and implication for neurotransmitter metabolism

Study of Interaction Between PEG Carrier and Three Relevant Drug Molecules: Piroxicam, Paclitaxel, and Hematoporphyrin

Study of PEGylated Lipid Layers as a Model for PEGylated Liposome Surfaces: Molecular Dynamics Simulation and Langmuir Monolayer Studies

Tat(48-60) peptide amino acid sequence is not unique in its cell penetrating properties and cell-surface glycosaminoglycans inhibit its cellular uptake

The effect of light sensitizer localization on the stability of indocyanine green liposomes

Use of Umbrella Sampling to Calculate the Entrance/Exit Pathway for Z-Pro-Prolinal Inhibitor in Prolyl Oligopeptidase.