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Molecular dynamics simulations demonstrate the regulation of DNA-DNA attraction by H4 histone tail acetylations and mutations

Biopolymers, 2014-10, Vol.101 (10), p.1051-1064

2014

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Force Field Development for Lipid Membrane Simulations

Biochimica et biophysica acta, 2016-10, Vol.1858 (10), p.2483-2497

2016

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Water structure, dynamics and reactivity on a TiO2-nanoparticle surface: new insights from ab initio molecular dynamics

Nanoscale, 2022-11, Vol.14 (44), p.16536-16547

2022

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Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

The journal of physical chemistry. B, 2021-07, Vol.125 (29), p.8048-8059

2021

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Modelling of interactions between Aβ(25-35) peptide and phospholipid bilayers: effects of cholesterol and lipid saturation

RSC advances, 2020-01, Vol.1 (7), p.392-3915

2020

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Extension of the Slipids Force Field to Polyunsaturated Lipids

The journal of physical chemistry. B, 2016-12, Vol.120 (50), p.12826-12842

2016

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Molecular Dynamics Simulations of Adsorption of Amino Acid Side Chain Analogues and a Titanium Binding Peptide on the TiO2 (100) Surface

Journal of physical chemistry. C, 2015-08, Vol.119 (32), p.18126-18139

2015

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A Molecular Dynamics Investigation of the Influence of Hydration and Temperature on Structural and Dynamical Properties of a Dimyristoylphosphatidylcholine Bilayer

The journal of physical chemistry. B, 2006-07, Vol.110 (29), p.14326-14336

2006

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Modification of the CHARMM force field for DMPC lipid bilayer

Journal of computational chemistry, 2008-11, Vol.29 (14), p.2359-2369

2008

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Effect of lipid saturation on amyloid-beta peptide partitioning and aggregation in neuronal membranes: molecular dynamics simulations

European biophysics journal, 2019-12, Vol.48 (8), p.813-824

2019

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Cation-induced polyelectrolyte–polyelectrolyte attraction in solutions of DNA and nucleosome core particles

Advances in colloid and interface science, 2010-07, Vol.158 (1), p.32-47

2010

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Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixture

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-03, Vol.105 (10), p.1702-1710

2001

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Base sequence specificity of counterion binding to DNA: what can MD simulations tell us?

Canadian journal of chemistry, 2016-12, Vol.94 (12), p.1181-1188

2016

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Multiscale modeling reveals the ion-mediated phase separation of nucleosome core particles

Biophysical journal, 2024-06, Vol.123 (11), p.1414-1434

2024

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Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions

The journal of physical chemistry. B, 2021-01, Vol.125 (1), p.416-430

2021

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Molecular Dynamics Simulations of Furfural and 5‑Hydroxymethylfurfural at Ambient and Hydrothermal Conditions

The journal of physical chemistry. B, 2018-09, Vol.122 (35), p.8416-8428

2018

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Systematic Optimization of a Force Field for Classical Simulations of TiO2–Water Interfaces

Journal of physical chemistry. C, 2015-08, Vol.119 (32), p.18110-18125

2015

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MagiC: Software Package for Multiscale Modeling

Journal of chemical theory and computation, 2013-03, Vol.9 (3), p.1512-1520

2013

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Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures

Crystals (Basel), 2022-01, Vol.12 (1), p.9

2022

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A Bottom-Up Coarse-Grained Model for Nucleosome–Nucleosome Interactions with Explicit Ions

Journal of chemical theory and computation, 2022-06, Vol.18 (6), p.3948-3960

2022

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First principles characterisation of bio-nano interface

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (24), p.13473-13482

2021

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A systematic analysis of nucleosome core particle and nucleosome-nucleosome stacking structure

Scientific reports, 2018-01, Vol.8 (1), p.1543-14, Article 1543

2018

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Recent development in computer simulations of lipid bilayers

Soft matter, 2011-01, Vol.7 (1), p.25-39

2011

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Curvature sensing by cardiolipin in simulated buckled membranes

Soft matter, 2019, Vol.15 (4), p.792-802

2019

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Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations

Biophysical chemistry, 2017-07, Vol.226, p.1-13

2017

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Molecular dynamics simulations demonstrate the regulation of DNA-DNA attraction by H4 histone tail acetylations and mutations

Force Field Development for Lipid Membrane Simulations

Water structure, dynamics and reactivity on a TiO2-nanoparticle surface: new insights from ab initio molecular dynamics

Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

Modelling of interactions between Aβ(25-35) peptide and phospholipid bilayers: effects of cholesterol and lipid saturation

Extension of the Slipids Force Field to Polyunsaturated Lipids

Molecular Dynamics Simulations of Adsorption of Amino Acid Side Chain Analogues and a Titanium Binding Peptide on the TiO2 (100) Surface

A Molecular Dynamics Investigation of the Influence of Hydration and Temperature on Structural and Dynamical Properties of a Dimyristoylphosphatidylcholine Bilayer

Modification of the CHARMM force field for DMPC lipid bilayer

Effect of lipid saturation on amyloid-beta peptide partitioning and aggregation in neuronal membranes: molecular dynamics simulations

Cation-induced polyelectrolyte–polyelectrolyte attraction in solutions of DNA and nucleosome core particles

Molecular Dynamics Simulations of Dimethyl Sulfoxide and Dimethyl Sulfoxide−Water Mixture

Base sequence specificity of counterion binding to DNA: what can MD simulations tell us?

Multiscale modeling reveals the ion-mediated phase separation of nucleosome core particles

Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions

Molecular Dynamics Simulations of Furfural and 5‑Hydroxymethylfurfural at Ambient and Hydrothermal Conditions

Systematic Optimization of a Force Field for Classical Simulations of TiO2–Water Interfaces

MagiC: Software Package for Multiscale Modeling

Exploring High-Pressure Transformations in Low-Z (H2, Ne) Hydrates at Low Temperatures

A Bottom-Up Coarse-Grained Model for Nucleosome–Nucleosome Interactions with Explicit Ions

First principles characterisation of bio-nano interface

A systematic analysis of nucleosome core particle and nucleosome-nucleosome stacking structure

Recent development in computer simulations of lipid bilayers

Curvature sensing by cardiolipin in simulated buckled membranes

Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations

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