Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
Author:
Affiliation:
1. Department of Pharmaceutical Chemistry, University of California San Francisco, San Francisco, California 94158-2330, United States
Funder
National Institutes of Health
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm300687e
Reference53 articles.
1. Docking and scoring in virtual screening for drug discovery: methods and applications
2. Structure-based discovery of 2-adrenergic receptor ligands
3. Structure-based ligand discovery for the protein-protein interface of chemokine receptor CXCR4
4. Successful Virtual Screening for Novel Inhibitors of Human Carbonic Anhydrase: Strategy and Experimental Confirmation
5. Recommendations for evaluation of computational methods
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5. Multidimensional Criteria for Virtual Screening of PqsR Inhibitors Based on Pharmacophore, Docking, and Molecular Dynamics;International Journal of Molecular Sciences;2024-02-03
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