Conformation Generation: The State of the Art
Author:
Affiliation:
1. OpenEye Scientific, 9 Bisbee Court, Suite D, Santa Fe, New Mexico 87508, 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/acs.jcim.7b00221
Reference103 articles.
1. A Real-World Perspective on Molecular Design
2. The Protein Data Bank
3. The Cambridge Structural Database
4. Essential considerations for using protein–ligand structures in drug discovery
5. Ligand Depot: a data warehouse for ligands bound to macromolecules
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