Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand
Author:
Publisher
Public Library of Science (PLoS)
Subject
Multidisciplinary
Reference27 articles.
1. A computational procedure for determining energetically favorable binding sites on biologically important macromolecules;PJ Goodford;J Med Chem,1985
2. Crystal structure of unliganded Escherichia coli dihydrofolate reductase. Ligand-induced conformational changes and cooperativity in binding;C Bystroff;Biochemistry,1991
3. DOCK 4.0: search strategies for automated molecular docking of flexible molecule databases;TJ Ewing;J Comput Aided Mol Des,2001
4. Flexible docking under pharmacophore type constraints;SA Hindle;J Comput Aided Mol Des,2002
5. Automated docking using a Lamarckian genetic algorithm and an empirical binding free Energy Function;G Morris;J Comput Chem,1998
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