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Biophysical Journal|August 27, 2013
Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutininMohamad R Kalani, Abdulvahab Moradi, Mahmoud Moradi, et al.
Nature Communications|November 21, 2023
Myr-Arf1 conformational flexibility at the membrane surface sheds light on the interactions with ArfGAP ASAP1Yue Zhang, Olivier Soubias, Shashank Pant, et al.
Biophysical Journal|November 25, 2014
A highly tilted membrane configuration for the prefusion state of synaptobrevinAndrew E Blanchard, Mark J Arcario, Klaus Schulten, et al.
Advances in Experimental Medicine and Biology|January 23, 2026
Simulating Gas Permeation Through the Central Pore of AQP5Eric Joon Shinn, Ardeshir Vahedi, Walter F Boron, et al.
Biophysical Journal|September 2, 2009
Structural basis of substrate selectivity in the glycerol-3-phosphate: phosphate antiporter GlpTChristopher J Law, Giray Enkavi, Da-Neng Wang, et al.
The Journal of Physical Chemistry. B|June 27, 2025
The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift PathwayChenyu Tang, Haochuan Chen, Emad Tajkhorshid, et al.
Journal of Chemical Information and Modeling|December 15, 2021
Assembly and Analysis of Cell-Scale Membrane EnvelopesJosh V Vermaas, Christopher G Mayne, Eric Shinn, et al.
Proceedings of Urgenthpc 2021 : the Third International Workshop on HPC for Urgent Decision Making|December 27, 2022
Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 VirusDavid J Hardy, Barry Isralewitz, John E Stone, et al.
The Journal of Chemical Physics|November 3, 2020
Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparisonYui Tik Pang, Anna Pavlova, Emad Tajkhorshid, et al.
Biochemistry|December 5, 2017
Arachidonic Acid Metabolism by Human Cardiovascular CYP2J2 Is Modulated by DoxorubicinWilliam R Arnold, Javier L Baylon, Emad Tajkhorshid, et al.
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