Efficiency of Stratification for Ensemble Docking Using Reduced Ensembles
Author:
Affiliation:
1. Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616, 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.8b00314
Reference58 articles.
1. Emerging Methods for Ensemble-Based Virtual Screening
2. Exploring the role of receptor flexibility in structure-based drug discovery
3. Ensemble Docking in Drug Discovery
4. Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening
5. Protein Flexibility in Docking-Based Virtual Screening: Discovery of Novel Lymphoid-Specific Tyrosine Phosphatase Inhibitors Using Multiple Crystal Structures
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