Author of the publication

WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis

, , , , , , , , , , , and . Journal of Chemical Theory and Computation, 11 (2): 800-809 (2015)
DOI: 10.1021/ct5010615

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Simulations of the alternating access mechanism of the sodium symporter Mhp1, , , , , , and . Biophysical journal, 101 (10): 2399--2407 (2011)Efficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin, , and . Proceedings of the National Academy of Sciences, 104 (46): 18043-18048 (2007)Path-sampling strategies for simulating rare events in biomolecular systems, , and . Current Opinion in Structural Biology, (2017)#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol., , , , , , , , , and 42 other author(s). Int. J. High Perform. Comput. Appl., 37 (1): 28-44 (2023)Weighted ensemble: Recent mathematical developments., , , , and . CoRR, (2022)Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories, , , , , , and . Journal of Chemical Theory and Computation, 10 (7): 2658-2667 (2014)PMID: 25246856.Symmetry of forward and reverse path populations, and . (2010)cite arxiv:1002.2402.Escape of a Small Molecule from Inside T4 Lysozyme by Multiple Pathways, , and . Biophysical Journal, 114 (5): 1058 - 1066 (2018)Efficient stochastic simulation of chemical kinetics networks using a weighted ensemble of trajectories, , , and . The Journal of chemical physics, 139 (11): 09B642\_1 (2013)Rapid sampling of all-atom peptides using a library-based polymer-growth approach., , and . J. Comput. Chem., 32 (3): 396-405 (2011)