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Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids

The journal of physical chemistry. B, 2012-03, Vol.116 (10), p.3164-3179

2012

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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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Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics

The Journal of chemical physics, 2017-07, Vol.147 (2), p.024704-024704

2017

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

Nucleic acids research, 2019-06, Vol.47 (11), p.5550-5562

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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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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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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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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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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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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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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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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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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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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Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids

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

Diffusion and reaction pathways of water near fully hydrated TiO2 surfaces from ab initio molecular dynamics

Another Piece of the Membrane Puzzle: Extending Slipids Further

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

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

Exploring the Free Energy Landscape of Solutes Embedded in Lipid Bilayers

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

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

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

Biomolecular Adsorption on Nanomaterials: Combining Molecular Simulations with Machine Learning

Coarse-Grained Modeling Using Neural Networks Trained on Structural Data

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

Atomistic Molecular Dynamics Simulations of Lipids Near TiO2 Nanosurfaces

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

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

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