Characterization of Small Molecule Binding. I. Accurate Identification of Strong Inhibitors in Virtual Screening
Author:
Affiliation:
1. Department of Chemistry and Biochemistry and ‡Department of Cellular and Molecular Medicine, UCSD, La Jolla, California 92093-0359, United States
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/ci300508m
Reference46 articles.
1. Efficacy and selectivity in flexible database docking
2. In Silico and In Vitro: Identifying New Drugs
3. A Fast Flexible Docking Method using an Incremental Construction Algorithm
4. The particle concept: placing discrete water molecules during protein-ligand docking predictions
5. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
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