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WESTPA: An Interoperable, Highly Scalable Software Package for Weighted Ensemble Simulation and Analysis, , , , , , , , , and 2 other author(s). Journal of Chemical Theory and Computation, 11 (2): 800-809 (2015)Large enhancement of response times of a protein conformational switch by computational design, , , and . Nature Communications, 9 (1): 1013-- (2018)Reaching biological timescales with all-atom molecular dynamics simulations, and . Current Opinion in Pharmacology, 10 (6): 745 - 752 (2010)Endocrine and metabolic diseases/New technologies - the importance of protein dynamics.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.AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics., , , , , , , , , and 19 other author(s). Int. J. High Perform. Comput. Appl., (2021)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)Simulations of the alternating access mechanism of the sodium symporter Mhp1, , , , , , and . Biophysical journal, 101 (10): 2399--2407 (2011)LPATH: A Semiautomated Python Tool for Clustering Molecular Pathways., , and . J. Chem. Inf. Model., 63 (24): 7610-7616 (December 2023)Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories., , , , , , , and . J. Chem. Inf. Model., 62 (8): 1891-1904 (2022)