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A reactive molecular dynamics simulation of the silica-water interface

The Journal of chemical physics, 2010-05, Vol.132 (17), p.174704-174704-10

2010

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Molecular basis for higher affinity of SARS‐CoV‐2 spike RBD for human ACE2 receptor

Proteins, structure, function, and bioinformatics, 2021-09, Vol.89 (9), p.1134-1144

2021

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An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers

The journal of physical chemistry. B, 2009-03, Vol.113 (9), p.2748-2763

2009

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Effects of Lithium and Other Monovalent Ions on Palmitoyl Oleoyl Phosphatidylcholine Bilayer

Langmuir, 2017-01, Vol.33 (4), p.1105-1115

2017

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Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques

SIAM journal on scientific computing, 2012-01, Vol.34 (1), p.C1-C23

2012

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Simulation of the Early Stages of Nano-Domain Formation in Mixed Bilayers of Sphingomyelin, Cholesterol, and Dioleylphosphatidylcholine

Biophysical journal, 2004-11, Vol.87 (5), p.3312-3322

2004

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Mixed Bilayer Containing Dipalmitoylphosphatidylcholine and Dipalmitoylphosphatidylserine: Lipid Complexation, Ion Binding, and Electrostatics

Biophysical journal, 2003-11, Vol.85 (5), p.3120-3131

2003

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Sphingomyelin-Cholesterol Domains in Phospholipid Membranes: Atomistic Simulation

Biophysical journal, 2004-08, Vol.87 (2), p.1092-1100

2004

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High-Dimensional Parameter Search Method to Determine Force Field Mixing Terms in Molecular Simulations

Langmuir, 2022-03, Vol.38 (9), p.2840-2851

2022

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Cholesterol Surrogates: A Comparison of Cholesterol and 16:0 Ceramide in POPC Bilayers

Biophysical journal, 2007-02, Vol.92 (3), p.920-927

2007

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Molecular-dynamics simulation of a ceramide bilayer

The Journal of chemical physics, 2006-01, Vol.124 (1), p.014708-014708-7

2006

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Interactions of Monovalent and Divalent Cations at Palmitoyl-Oleoyl-Phosphatidylcholine Interface

Langmuir, 2019-08, Vol.35 (32), p.10522-10532

2019

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Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data

Biochimica et biophysica acta, 2015-02, Vol.1848 (2), p.662-672

2015

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Interaction of salt with ether- and ester-linked phospholipid bilayers

Biochimica et biophysica acta. Biomembranes, 2019-05, Vol.1861 (5), p.907-915

2019

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Molecular dynamics simulations of ether- and ester-linked phospholipids

Biochimica et biophysica acta. Biomembranes, 2017-12, Vol.1859 (12), p.2297-2307

2017

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Lateral organization of complex lipid mixtures from multiscale modeling

The Journal of chemical physics, 2010-02, Vol.132 (6), p.065104-065104-10

2010

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Transferable interactions of Li+ and Mg2+ ions in polarizable models

The Journal of chemical physics, 2020-09, Vol.153 (10), p.104113-104113

2020

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Why Class Formation Occurs in Humans but Not among Other Primates: A Primate Coalitions Model

Human nature (Hawthorne, N.Y.), 2020-06, Vol.31 (2), p.155-173

2020

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A Model for Within-Group Coalitionary Aggression among Males

Behavioral ecology and sociobiology, 2004-12, Vol.57 (2), p.101-109

2004

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Cholesterol Packing around Lipids with Saturated and Unsaturated Chains: A Simulation Study

Langmuir, 2008-07, Vol.24 (13), p.6858-6865

2008

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Multiscale simulations of heterogeneous model membranes

Biochimica et biophysica acta, 2009-01, Vol.1788 (1), p.136-148

2009

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Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl

Biophysical journal, 2003-06, Vol.84 (6), p.3743-3750

2003

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Automated Optimization of Water–Water Interaction Parameters for a Coarse-Grained Model

The journal of physical chemistry. B, 2014-02, Vol.118 (6), p.1603-1611

2014

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The Conditions Favoring Between-Community Raiding in Chimpanzees, Bonobos, and Human Foragers

Human nature (Hawthorne, N.Y.), 2016-06, Vol.27 (2), p.141-159

2016

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Atomistic and coarse-grained computer simulations of raft-like lipid mixtures

Methods in molecular biology (Clifton, N.J.), 2007, Vol.398, p.283

2007

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A reactive molecular dynamics simulation of the silica-water interface

Molecular basis for higher affinity of SARS‐CoV‐2 spike RBD for human ACE2 receptor

An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers

Effects of Lithium and Other Monovalent Ions on Palmitoyl Oleoyl Phosphatidylcholine Bilayer

Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques

Simulation of the Early Stages of Nano-Domain Formation in Mixed Bilayers of Sphingomyelin, Cholesterol, and Dioleylphosphatidylcholine

Mixed Bilayer Containing Dipalmitoylphosphatidylcholine and Dipalmitoylphosphatidylserine: Lipid Complexation, Ion Binding, and Electrostatics

Sphingomyelin-Cholesterol Domains in Phospholipid Membranes: Atomistic Simulation

High-Dimensional Parameter Search Method to Determine Force Field Mixing Terms in Molecular Simulations

Cholesterol Surrogates: A Comparison of Cholesterol and 16:0 Ceramide in POPC Bilayers

Molecular-dynamics simulation of a ceramide bilayer

Interactions of Monovalent and Divalent Cations at Palmitoyl-Oleoyl-Phosphatidylcholine Interface

Atomically detailed lipid bilayer models for the interpretation of small angle neutron and X-ray scattering data

Interaction of salt with ether- and ester-linked phospholipid bilayers

Molecular dynamics simulations of ether- and ester-linked phospholipids

Lateral organization of complex lipid mixtures from multiscale modeling

Transferable interactions of Li+ and Mg2+ ions in polarizable models

Why Class Formation Occurs in Humans but Not among Other Primates: A Primate Coalitions Model

A Model for Within-Group Coalitionary Aggression among Males

Cholesterol Packing around Lipids with Saturated and Unsaturated Chains: A Simulation Study

Multiscale simulations of heterogeneous model membranes

Molecular Dynamics Simulation of a Dipalmitoylphosphatidylcholine Bilayer with NaCl

Automated Optimization of Water–Water Interaction Parameters for a Coarse-Grained Model

The Conditions Favoring Between-Community Raiding in Chimpanzees, Bonobos, and Human Foragers

Atomistic and coarse-grained computer simulations of raft-like lipid mixtures

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