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Publications by Jana K. Shen

Charge-Leveling and Proper Treatment of Long-Range Electrostatics in All-Atom Molecular Dynamics at Constant pH

Journal of Chemical Physics

Theoretical Chemistry

English

Effects of System Net Charge and Electrostatic Truncation on All-Atom Constant pH Molecular Dynamics

Journal of Computational Chemistry

Computational Mathematics

English

Related publications

All-Atom Molecular Dynamics Simulation of Stealth Liposomes

Biophysical Journal

English

Simulating the Mechanism of Antimicrobial Lipopeptides With All-Atom Molecular Dynamics

English

ColDock: Concentrated Ligand Docking With All-Atom Molecular Dynamics Simulation

English

All-Atom Molecular Dynamics Study of WaterDodecane Interface in the Presence of Octanol

English

All-Atom Molecular Dynamics Simulations of the K+ Channel Chimera Kv1.2/Kv2.1

Biophysical Journal

English

Generalized Born Based Continuous Constant pH Molecular Dynamics in Amber: Implementation, Benchmarking and Analysis

English

All-Atom Steered Molecular Dynamics Simulations of Large Proteins in a Small Water Box

Biophysical Journal

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Influence of Sterol in Ternary Mixtures Containing Sphingomyelin: An All-Atom Molecular Dynamics Study

Biophysical Journal

English