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The Journal of Physical Chemistry Letters|September 21, 2016
Conformational Activation of a Transmembrane Proton Channel from Constant pH Molecular DynamicsWei Chen, Yandong Huang, Jana Shen
Arrhythmia & Electrophysiology Review|July 13, 2016
Cardiac Implantable Electronic Device Infection in Patients at RiskKhaldoun G Tarakji, Christopher R Ellis, Pascal Defaye, et al.
Journal of the American Chemical Society|September 4, 2019
How Electrostatic Coupling Enables Conformational Plasticity in a Tyrosine KinaseCheng-Chieh Tsai, Zhi Yue, Jana Shen
Methods in Molecular Biology (Clifton, N.J.)|April 20, 2021
Continuous Constant pH Molecular Dynamics Simulations of Transmembrane ProteinsYandong Huang, Jack A Henderson, Jana Shen
Journal of Chemical Information and Modeling|December 28, 2020
Exploring the pH-Dependent Structure-Dynamics-Function Relationship of Human ReninShuhua Ma, Jack A Henderson, Jana Shen
Journal of Chemical Theory and Computation|April 25, 2020
Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in AmberRobert C Harris, Ruibin Liu, Jana Shen
Molecules (Basel, Switzerland)|February 10, 2024
Effect of Acetylation on the Nanofibril Formation of Chitosan from All-Atom De Novo Self-Assembly SimulationsAarion Romany, Gregory F Payne, Jana Shen
The Journal of Physical Chemistry. B|November 12, 2024
Force Field Limitations of All-Atom Continuous Constant pH Molecular DynamicsCraig A Peeples, Ruibin Liu, Jana Shen
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