Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
Author:
Affiliation:
1. Bioinformatics of the Drug, UMR 7175 CNRS-ULP (Université Louis Pasteur- Strasbourg I), 74 route du Rhin, B.P. 24, F-67400 Illkirch, France
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/ci600342e
Reference57 articles.
1. Fragonomics: fragment-based drug discovery
2. Ligand efficiency: a useful metric for lead selection
3. High-throughput X-ray crystallography for drug discovery
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