Discovery of Covalent Ligands via Noncovalent Docking by Dissecting Covalent Docking Based on a “Steric-Clashes Alleviating Receptor (SCAR)” Strategy
Author:
Affiliation:
1. Hubei Key Laboratory of Tumor Microenvironment and Immunotherapy, China Three Gorges University, Yichang 443002, China
2. College of Medical Science, China Three Gorges University, Yichang 443002, China
Funder
National Natural Science Foundation of China
China Three Gorges University
Hubei Province (China)
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.6b00334
Reference46 articles.
1. Covalent tethering of fragments for covalent probe discovery
2. New drug design with covalent modifiers
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5. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
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