Accelerating Molecular Docking Calculations Using Graphics Processing Units
Author:
Affiliation:
1. Cambridge Crystallographic Data Centre, CB2 1EZ Cambridge, United Kingdom
2. Department of Chemistry and Zukunftskolleg, University of Konstanz, D-78457 Konstanz, Germany
3. IRIDIA, CoDE, Université Libre de Bruxelles (ULB), Brussels, Belgium
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/ci100459b
Reference29 articles.
1. Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
2. An ant colony optimization approach to flexible protein–ligand docking
3. Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS
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