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PLoS computational biology, 2019-06, Vol.15 (6), p.e1007128

2019

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Divalent cations bind to phosphoinositides to induce ion and isomer specific propensities for nano-cluster initiation in bilayer membranes

Royal Society open science, 2020-05, Vol.7 (5), p.192208-192208

2020

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Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion

Proceedings of the National Academy of Sciences - PNAS, 2011-03, Vol.108 (10), p.3958-3963

2011

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Overview of the SAMPL5 host–guest challenge: Are we doing better?

Journal of computer-aided molecular design, 2017-01, Vol.31 (1), p.1-19

2017

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Escaping Atom Types in Force Fields Using Direct Chemical Perception

Journal of chemical theory and computation, 2018-11, Vol.14 (11), p.6076-6092

2018

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The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

Journal of computer-aided molecular design, 2020-05, Vol.34 (5), p.601-633

2020

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Motor-like Properties of Nonmotor Enzymes

Biophysical journal, 2018-05, Vol.114 (9), p.2174-2179

2018

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Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids

Soft matter, 2014-03, Vol.1 (1), p.1439-1449

2014

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Tuning Potential Functions to Host–Guest Binding Data

Journal of chemical theory and computation, 2024-01, Vol.20 (1), p.239-252

2024

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Binding Thermodynamics of Host–Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

Journal of chemical theory and computation, 2019-11, Vol.15 (11), p.6225-6242

2019

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The SAMPL5 host–guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method

Journal of computer-aided molecular design, 2017-01, Vol.31 (1), p.133-145

2017

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Counterion-mediated cluster formation by polyphosphoinositides

Chemistry and physics of lipids, 2014-09, Vol.182, p.38-51

2014

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Optimization of Coded Aperture Radioscintigraphy for Sentinel Lymph Node Mapping

Molecular imaging and biology, 2012-04, Vol.14 (2), p.173-182

2012

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Counterion-mediated pattern formation in membranes containing anionic lipids

Advances in colloid and interface science, 2014-06, Vol.208, p.177-188

2014

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Quantum and All-Atom Molecular Dynamics Simulations of Protonation and Divalent Ion Binding to Phosphatidylinositol 4,5-Bisphosphate (PIP2)

The journal of physical chemistry. B, 2013-07, Vol.117 (28), p.8322-8329

2013

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Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomers

Physical chemistry chemical physics : PCCP, 2015-05, Vol.17 (19), p.12608-12615

2015

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Salmon-derived thrombin inhibits development of chronic pain through an endothelial barrier protective mechanism dependent on APC

Biomaterials, 2016-02, Vol.80, p.96-105

2016

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Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomersElectronic supplementary information (ESI) available: Additional details on the computational and experimental methods. Additional supporting figures. See DOI: 10.1039/c5cp00862j

2015-05

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Molecular Dynamics Simulations of Monolayers and Membranes with Phosphatidylinositol Bisphosphate

Biophysical journal, 2011-02, Vol.100 (3), p.88a-88a

2011

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Quantum and All-Atom Molecular Dynamics Simulations of Protonation and Divalent Ion Binding to Phosphatidylinositol 4,5-Bisphosphate (PIP2)

Biophysical journal, 2013-01, Vol.104 (2), p.79a-79a

2013

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Association of Transmembrane Helices in Viral Fusion Peptides Suggests a Protein-Centric Mechanism of Membrane Fusion

Biophysical journal, 2011-02, Vol.100 (3), p.633a-633a

2011

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Multiscale simulations of phosphatidylinositol bisphosphate: Understanding its biological role through physical chemistry

Slochower, David R

2014

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Lipid Membrane Shape Evolution and the Actin Cytoskeleton

Handbook of Lipid Membranes, 2021, p.161-175

1, 2021

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Kinase Associated-1 Domains Drive MARK/PAR1 Kinases to Membrane Targets by Binding Acidic Phospholipids

Cell, 2010-12, Vol.143 (6), p.966-977

2010

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Kinase Associated-1 Domains Drive MARK/PAR1 Kinases to Membrane Targets by Binding Acidic Phospholipids

Cell, 2010-12, Vol.143 (6)

2010

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Open collaborative writing with Manubot

Divalent cations bind to phosphoinositides to induce ion and isomer specific propensities for nano-cluster initiation in bilayer membranes

Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion

Overview of the SAMPL5 host–guest challenge: Are we doing better?

Escaping Atom Types in Force Fields Using Direct Chemical Perception

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations

Motor-like Properties of Nonmotor Enzymes

Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids

Tuning Potential Functions to Host–Guest Binding Data

Binding Thermodynamics of Host–Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative

The SAMPL5 host–guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method

Counterion-mediated cluster formation by polyphosphoinositides

Optimization of Coded Aperture Radioscintigraphy for Sentinel Lymph Node Mapping

Counterion-mediated pattern formation in membranes containing anionic lipids

Quantum and All-Atom Molecular Dynamics Simulations of Protonation and Divalent Ion Binding to Phosphatidylinositol 4,5-Bisphosphate (PIP2)

Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomers

Salmon-derived thrombin inhibits development of chronic pain through an endothelial barrier protective mechanism dependent on APC

Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomersElectronic supplementary information (ESI) available: Additional details on the computational and experimental methods. Additional supporting figures. See DOI: 10.1039/c5cp00862j

Molecular Dynamics Simulations of Monolayers and Membranes with Phosphatidylinositol Bisphosphate

Quantum and All-Atom Molecular Dynamics Simulations of Protonation and Divalent Ion Binding to Phosphatidylinositol 4,5-Bisphosphate (PIP2)

Association of Transmembrane Helices in Viral Fusion Peptides Suggests a Protein-Centric Mechanism of Membrane Fusion

Multiscale simulations of phosphatidylinositol bisphosphate: Understanding its biological role through physical chemistry

Lipid Membrane Shape Evolution and the Actin Cytoskeleton

Kinase Associated-1 Domains Drive MARK/PAR1 Kinases to Membrane Targets by Binding Acidic Phospholipids

Kinase Associated-1 Domains Drive MARK/PAR1 Kinases to Membrane Targets by Binding Acidic Phospholipids

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