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Journal of Chemical Information and Modeling|April 14, 2022
Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of TrajectoriesShe Zhang, Jeff P Thompson, Junchao Xia, et al.
Biorxiv : the Preprint Server for Biology|November 14, 2023
Identification of Small Molecule Ligand Binding Sites On and In the ARNT PAS-B DomainXingjian Xu, Joseph Closson, Leandro Pimentel Marcelino, et al.
Biorxiv : the Preprint Server for Biology|May 18, 2026
Walking the Tightrope: Balancing Opposing Cooperativities as an Operating Principle in Dynein AssemblyDouglas R Walker, Lisa Otten, Mukhtar O Idris, et al.
Journal of Molecular Biology|March 4, 2022
Continuum dynamics and statistical correction of compositional heterogeneity in multivalent IDP oligomers resolved by single-particle EMBarmak Mostofian, Russell McFarland, Aidan Estelle, et al.
The Journal of Biological Chemistry|July 26, 2024
Identification of small-molecule ligand-binding sites on and in the ARNT PAS-B domainXingjian Xu, Joseph D Closson, Leandro Pimentel Marcelino, et al.
Living Journal of Computational Molecular Science|December 12, 2018
Best Practices for Quantification of Uncertainty and Sampling Quality in Molecular Simulations [Article v1.0]Alan Grossfield, Paul N Patrone, Daniel R Roe, et al.
Living Journal of Computational Molecular Science|December 3, 2019
Best Practices for Foundations in Molecular Simulations [Article v1.0]Efrem Braun, Justin Gilmer, Heather B Mayes, et al.
Living Journal of Computational Molecular Science|May 18, 2023
A Suite of Tutorials for the WESTPA 2.0 Rare-Events Sampling Software [Article v2.0]Anthony T Bogetti, Jeremy M G Leung, John D Russo, et al.
The Journal of Physical Chemistry. B|December 16, 2016
Entire-Dataset Analysis of NMR Fast-Exchange Titration Spectra: A Mg<sup>2+</sup> Titration Analysis for HIV-1 Ribonuclease H DomainIchhuk Karki, Martin T Christen, Justin Spiriti, et al.
Biorxiv : the Preprint Server for Biology|January 31, 2024
Single-cell morphodynamical trajectories enable prediction of gene expression accompanying cell state changeJeremy Copperman, Ian C Mclean, Sean M Gross, et al.
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