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The homogeneity condition: A simple way to derive isotropic periodic sum potentials for efficient calculation of long-range interactions in molecular simulation

The Journal of chemical physics, 2019-06, Vol.150 (21), p.214109

2019

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Reformulation of the self-guided molecular simulation method

The Journal of chemical physics, 2020-09, Vol.153 (9), p.094112

2020

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A double exponential potential for van der Waals interaction

AIP advances, 2019-06, Vol.9 (6), p.065304-065304-5

2019

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Origin of pKa Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water

The journal of physical chemistry. B, 2017-04, Vol.121 (15), p.3318-3330

2017

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Isotropic periodic sum for multipole interactions and a vector relation for calculation of the Cartesian multipole tensor

The Journal of chemical physics, 2016-10, Vol.145 (16), p.164110-164110

2016

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Self-guided Langevin dynamics simulation method

Chemical physics letters, 2003-11, Vol.381 (3), p.512-518

2003

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A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water

PLoS computational biology, 2015-10, Vol.11 (10), p.e1004480-e1004480

2015

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Chemoreceptors in Caulobacter crescentus: Trimers of Receptor Dimers in a Partially Ordered Hexagonally Packed Array

Journal of Bacteriology, 2008-10, Vol.190 (20), p.6805-6810

2008

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Phosphoproteomic Analysis Reveals Regulatory Mechanisms at the Kidney Filtration Barrier

Journal of the American Society of Nephrology, 2014-07, Vol.25 (7), p.1509-1522

2014

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Role of HAMP domains in chemotaxis signaling by bacterial chemoreceptors

Proceedings of the National Academy of Sciences - PNAS, 2008-10, Vol.105 (43), p.16555-16560

2008

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Isotropic periodic sum: a method for the calculation of long-range interactions

The Journal of chemical physics, 2005-01, Vol.122 (4), p.44107-44107

2005

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Identify the conformational states of glycine receptor alpha3 through umbrella sampling

Biophysical journal, 2022-02, Vol.121 (3), p.460a-460a

2022

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Lateral density of receptor arrays in the membrane plane influences sensitivity of the E. coli chemotaxis response

The EMBO journal, 2011-05, Vol.30 (9), p.1719-1729

2011

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2.2 Å resolution cryo-EM structure of β-galactosidase in complex with a cell-permeant inhibitor

Science (American Association for the Advancement of Science), 2015-06, Vol.348 (6239), p.1147-1151

2015

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Self-guided molecular dynamics simulation based on concerted movement

Biophysical journal, 2023-02, Vol.122 (3), p.420a-420a

2023

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Glutamate Receptor Ion Channel Activation Mechanism Revealed by Cryo-EM Maps

Biophysical journal, 2017-02, Vol.112 (3), p.545a-545a

2017

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Molecular Structure of a 9-MDa Icosahedral Pyruvate Dehydrogenase Subcomplex Containing the E2 and E3 Enzymes Using Cryoelectron Microscopy

The Journal of biological chemistry, 2006-02, Vol.281 (7), p.4364-4370

2006

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Membrane cholesterol dependence of cannabinoid modulation of glycine receptor

The FASEB journal, 2020-08, Vol.34 (8), p.10920-10930

2020

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Atomic Resolution Cryo-EM Structure of β-Galactosidase

Structure (London), 2018-06, Vol.26 (6), p.848-856.e3

2018

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Self-guided Langevin dynamics via generalized Langevin equation

Journal of computational chemistry, 2016-03, Vol.37 (6), p.595-601

2016

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Origin of pK a Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water

The journal of physical chemistry. B, 2017-04, Vol.121 (15), p.3318-3330

2017

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Atomic Force Simulations Reveal that the Leading Head of Kinesin Dimers Generates the Cargo Moving Force

Biophysical journal, 2018-02, Vol.114 (3), p.510a-510a

2018

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Long-Range Lennard-Jones and Electrostatic Interactions in Interfaces: Application of the Isotropic Periodic Sum Method

The journal of physical chemistry. B, 2007-05, Vol.111 (17), p.4393-4400

2007

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AmberTools

Journal of chemical information and modeling, 2023-10, Vol.63 (20), p.6183-6191

2023

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Helix Folding of an Alanine-Based Peptide in Explicit Water

The journal of physical chemistry. B, 2001-03, Vol.105 (11), p.2227-2235

2001

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The homogeneity condition: A simple way to derive isotropic periodic sum potentials for efficient calculation of long-range interactions in molecular simulation

Reformulation of the self-guided molecular simulation method

A double exponential potential for van der Waals interaction

Origin of pKa Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water

Isotropic periodic sum for multipole interactions and a vector relation for calculation of the Cartesian multipole tensor

Self-guided Langevin dynamics simulation method

A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit Water

Chemoreceptors in Caulobacter crescentus: Trimers of Receptor Dimers in a Partially Ordered Hexagonally Packed Array

Phosphoproteomic Analysis Reveals Regulatory Mechanisms at the Kidney Filtration Barrier

Role of HAMP domains in chemotaxis signaling by bacterial chemoreceptors

Isotropic periodic sum: a method for the calculation of long-range interactions

Identify the conformational states of glycine receptor alpha3 through umbrella sampling

Lateral density of receptor arrays in the membrane plane influences sensitivity of the E. coli chemotaxis response

2.2 Å resolution cryo-EM structure of β-galactosidase in complex with a cell-permeant inhibitor

Self-guided molecular dynamics simulation based on concerted movement

Glutamate Receptor Ion Channel Activation Mechanism Revealed by Cryo-EM Maps

Molecular Structure of a 9-MDa Icosahedral Pyruvate Dehydrogenase Subcomplex Containing the E2 and E3 Enzymes Using Cryoelectron Microscopy

Membrane cholesterol dependence of cannabinoid modulation of glycine receptor

Atomic Resolution Cryo-EM Structure of β-Galactosidase

Self-guided Langevin dynamics via generalized Langevin equation

Origin of pK a Shifts of Internal Lysine Residues in SNase Studied Via Equal-Molar VMMS Simulations in Explicit Water

Atomic Force Simulations Reveal that the Leading Head of Kinesin Dimers Generates the Cargo Moving Force

Long-Range Lennard-Jones and Electrostatic Interactions in Interfaces: Application of the Isotropic Periodic Sum Method

AmberTools

Helix Folding of an Alanine-Based Peptide in Explicit Water

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