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Journal of Chemical Information and Modeling|January 28, 2020
Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy SimulationsDaniel Cappel, Steven Jerome, Gerhard Hessler, et al.Journal of Chemical Information and Modeling|July 23, 2026
Identifying Cryptic Binding Sites with Mixed Solvent MD Simulation and SiteMapDa Shi, Dmitry Lupyan, Steven Jerome, et al.Journal of Medicinal Chemistry|April 8, 2016
WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand-Receptor DockingRobert B Murphy, Matthew P Repasky, Jeremy R Greenwood, et al.Journal of Chemical Theory and Computation|March 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand BindingEdward B Miller, Robert B Murphy, Daniel Sindhikara, et al.Pageof 1