Publications by authors named "John D Bickel"

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Fragment and torsion biasing algorithms for construction of small organic molecules in proteins using DOCK.
John D Bickel, Brock T Boysan, Robert C Rizzo

J Comput Chem· January 2025

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Rapid Rescoring and Refinement of Ligand-Receptor Complexes Using Replica Exchange Molecular Dynamics with a Monte Carlo Pose Reservoir.
Juan Alcantara, Kelley Chiu, John D Bickel, Robert C Rizzo, Carlos Simmerling

J Chem Theory Comput· November 2023

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Neutral ceramidase-active site inhibitor chemotypes and binding modes.
Nicolas Coant, John D Bickel, Ronald Rahaim, Yuka Otsuka, Yong-Mi Choi

Bioorg Chem· October 2023

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A molecular evolution algorithm for ligand design in DOCK.
Lauren E Prentis, Courtney D Singleton, John D Bickel, William J Allen, Robert C Rizzo

J Comput Chem· November 2022

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