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Science Advances|September 17, 2020
Atomic-scale characterization of mature HIV-1 capsid stabilization by inositol hexakisphosphate (IP6)Alvin Yu, Elizabeth M Y Lee, Jaehyeok Jin, et al.Journal of the American Chemical Society|November 5, 2021
Preservation of HIV-1 Gag Helical Bundle Symmetry by Bevirimat Is Central to Maturation InhibitionAlexander J Pak, Michael D Purdy, Mark Yeager, et al.Journal of the American Chemical Society|July 31, 2014
Interactions of protein kinase C-α C1A and C1B domains with membranes: a combined computational and experimental studyJianing Li, Brian P Ziemba, Joseph J Falke, et al.The Journal of Chemical Physics|February 3, 2017
Communication: Improved ab initio molecular dynamics by minimally biasing with experimental dataAndrew D White, Chris Knight, Glen M Hocky, et al.The Journal of Chemical Physics|April 24, 2015
Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependenceAram Davtyan, James F Dama, Gregory A Voth, et al.Journal of Chemical Theory and Computation|January 4, 2017
Highly Coarse-Grained Representations of Transmembrane ProteinsJesper J Madsen, Anton V Sinitskiy, Jianing Li, et al.Biorxiv : the Preprint Server for Biology|August 2, 2024
Activation of the influenza B M2 proton channel (BM2)Zhi Yue, Jiangbo Wu, Da Teng, et al.The Journal of Physical Chemistry. B|November 15, 2007
An improved multistate empirical valence bond model for aqueous proton solvation and transportYujie Wu, Hanning Chen, Feng Wang, et al.Journal of Chemical Theory and Computation|November 20, 2015
The Theory of Ultra-Coarse-Graining. 2. Numerical ImplementationAram Davtyan, James F Dama, Anton V Sinitskiy, et al.Journal of Chemical Theory and Computation|January 7, 2016
Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in ProteinsSangyun Lee, Ruibin Liang, Gregory A Voth, et al.Pageof 83