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Journal of Chemical Theory and Computation|September 23, 2015
WESTPA: an interoperable, highly scalable software package for weighted ensemble simulation and analysisMatthew C Zwier, Joshua L Adelman, Joseph W Kaus, et al.Living Journal of Computational Molecular Science|May 13, 2020
A Suite of Tutorials for the WESTPA Rare-Events Sampling Software [Article v1.0]Anthony T Bogetti, Barmak Mostofian, Alex Dickson, et al.Nature Reviews. Drug Discovery|January 3, 2025
Functional dynamics of G protein-coupled receptors reveal new routes for drug discoveryPaolo Conflitti, Edward Lyman, Mark S P Sansom, et al.Oncology|January 8, 2018
Clinically Observed Estrogen Receptor Alpha Mutations within the Ligand-Binding Domain Confer Distinguishable PhenotypesShanhang Jia, Mark T Miedel, Marilyn Ngo, et al.Journal of Chemical Theory and Computation|January 19, 2022
WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale ApplicationsJohn D Russo, She Zhang, Jeremy M G Leung, et al.Biorxiv : the Preprint Server for Biology|November 28, 2024
Design of facilitated dissociation enables control over cytokine signaling durationAdam J Broerman, Christoph Pollmann, Mauriz A Lichtenstein, et al.Nature|September 24, 2025
Design of facilitated dissociation enables timing of cytokine signallingAdam J Broerman, Christoph Pollmann, Yang Zhao, 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.Acta Crystallographica. Section D, Structural Biology|January 4, 2019
Neutron scattering in the biological sciences: progress and prospectsRana Ashkar, Hassina Z Bilheux, Heliosa Bordallo, et al.The International Journal of High Performance Computing Applications|January 17, 2023
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosolAbigail Dommer, Lorenzo Casalino, Fiona Kearns, et al.Pageof 16