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An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes

Journal of chemical theory and computation, 2012-08, Vol.8 (8), p.2938-2948

2012

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Another Piece of the Membrane Puzzle: Extending Slipids Further

Journal of chemical theory and computation, 2013-01, Vol.9 (1), p.774-784

2013

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Modeling DNA Flexibility: Comparison of Force Fields from Atomistic to Multiscale Levels

The journal of physical chemistry. B, 2020-01, Vol.124 (1), p.38-49

2020

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An advanced coarse-grained nucleosome core particle model for computer simulations of nucleosome-nucleosome interactions under varying ionic conditions

PloS one, 2013-02, Vol.8 (2), p.e54228-e54228

2013

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A multiscale analysis of DNA phase separation: from atomistic to mesoscale level

Nucleic acids research, 2019-06, Vol.47 (11), p.5550

2019

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Exploring the Free Energy Landscape of Solutes Embedded in Lipid Bilayers

The journal of physical chemistry letters, 2013-06, Vol.4 (11), p.1781-1787

2013

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Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular Dynamics Simulation Study of the Adsorption Preferences, Effects of the Surface Curvature and Coating

Nanomaterials (Basel, Switzerland), 2023-08, Vol.13 (15), p.2239

2023

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Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure

PloS one, 2019-04, Vol.14 (4), p.e0214673-e0214673

2019

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Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids

The journal of physical chemistry. B, 2020-10, Vol.124 (40), p.8784-8793

2020

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New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures

Journal of computational chemistry, 2007-09, Vol.28 (12), p.2020-2026

2007

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Molecular Dynamics Simulation Study of Glycerol–Water Liquid Mixtures

The journal of physical chemistry. B, 2011-12, Vol.115 (49), p.14572-14581

2011

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Cholesterol in phospholipid bilayers: positions and orientations inside membranes with different unsaturation degrees

Soft matter, 2019, Vol.15 (1), p.78-93

2019

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Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO 2 nanoparticles

Journal of computational chemistry, 2024-06, Vol.45 (16), p.1364-1379

2024

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Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO2 nanoparticles

Journal of computational chemistry, 2024-06, Vol.45 (16), p.1364-1379

2024

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Bottom-Up Coarse-Grained Modeling of DNA

Frontiers in molecular biosciences, 2021-03, Vol.8, p.645527-645527

2021

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Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-06, Vol.127 (25), p.5446-5457

2023

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Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid Bilayer

Biophysical journal, 2008-01, Vol.94 (2), p.525-531

2008

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Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning

Journal of chemical information and modeling, 2024-05, Vol.64 (9), p.3799-3811

2024

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A Coarse-Grained DNA Model Parameterized from Atomistic Simulations by Inverse Monte Carlo

Polymers, 2014, Vol.6 (6), p.1655-1675

2014

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Electrostatic Origin of Salt-Induced Nucleosome Array Compaction

Biophysical journal, 2010-09, Vol.99 (6), p.1896-1905

2010

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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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Coarse-Grained Modeling Using Neural Networks Trained on Structural Data

Journal of chemical theory and computation, 2023-10, Vol.19 (19), p.6704-6717

2023

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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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An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes

Another Piece of the Membrane Puzzle: Extending Slipids Further

Modeling DNA Flexibility: Comparison of Force Fields from Atomistic to Multiscale Levels

An advanced coarse-grained nucleosome core particle model for computer simulations of nucleosome-nucleosome interactions under varying ionic conditions

A multiscale analysis of DNA phase separation: from atomistic to mesoscale level

Exploring the Free Energy Landscape of Solutes Embedded in Lipid Bilayers

Biomolecular Adsorprion at ZnS Nanomaterials: A Molecular Dynamics Simulation Study of the Adsorption Preferences, Effects of the Surface Curvature and Coating

Implicit solvent systematic coarse-graining of dioleoylphosphatidylethanolamine lipids: From the inverted hexagonal to the bilayer structure

Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids

New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures

Molecular Dynamics Simulation Study of Glycerol–Water Liquid Mixtures

Cholesterol in phospholipid bilayers: positions and orientations inside membranes with different unsaturation degrees

Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO 2 nanoparticles

Development of a bottom‐up coarse‐grained model for interactions of lipids with TiO2 nanoparticles

Bottom-Up Coarse-Grained Modeling of DNA

Ab Initio Derived Classical Force Field for Molecular Dynamics Simulations of ZnO Surfaces in Biological Environment

Effect of Local Anesthetic Lidocaine on Electrostatic Properties of a Lipid Bilayer

Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning

A Coarse-Grained DNA Model Parameterized from Atomistic Simulations by Inverse Monte Carlo

Electrostatic Origin of Salt-Induced Nucleosome Array Compaction

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

Coarse-Grained Modeling Using Neural Networks Trained on Structural Data

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

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