Knowledge-guided docking: accurate prospective prediction of bound configurations of novel ligands using Surflex-Dock
Author:
Funder
NIH/NIGMS
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Link
http://link.springer.com/content/pdf/10.1007/s10822-015-9846-3.pdf
Reference49 articles.
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3. Jones G, Willett P, Glen RC (1995) A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. J Comput Aided Mol Des 9(6):532–549
4. Jones G, Willett P, Glen R, Leach A, Taylor R (1997) Development and validation of a genetic algorithm for flexible docking. J Mol Biol 267(3):727–748
5. Welch W, Ruppert J, Jain AN (1996) Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites. Chem Biol 3(6):449–462
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