Identification of Cryptic Binding Sites Using MixMD with Standard and Accelerated Molecular Dynamics
Author:
Affiliation:
1. Department of Medicinal Chemistry, University of Michigan, 428 Church Street, Ann Arbor, Michigan 48109-1056, United States
Funder
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c01002
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1. Molecular Docking and Structure-Based Drug Design Strategies
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5. Beyond structural genomics: computational approaches for the identification of ligand binding sites in protein structures
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