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John Bickel

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Theoretical and Computational Chemistry

Rapid rescoring and refinement of ligand-receptor complexes using REMD with a MC pose reservoir

Juan Alcantara, Kelley Chiu, John Bickel, Robert Rizzo, Carlos Simmerling

Version 1 posted 26 September 2023

228

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Theoretical and Computational Chemistry

ff19SB: Amino-Acid Specific Protein Backbone Parameters Trained Against Quantum Mechanics Energy Surfaces in Solution

Chuan Tian, Koushik Kasavajhala, Kellon Belfon, Lauren Raguette, He Huang, Angela Migues, John Bickel, Yuzhang Wang, Jorge Pincay, Qin Wu, Carlos Simmerling

Version 1 posted 17 June 2019

3,546

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