The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals. [electronic resource]
- Journal of computational chemistry Jan 2005
- 48-71 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, U.S. Gov't, P.H.S.
0192-8651
10.1002/jcc.20118 doi
Algorithms Computer Simulation Crystallization Crystallography, X-Ray--statistics & numerical data Databases, Protein--statistics & numerical data Ligands Molecular Structure Protein Binding--physiology Trypsin Inhibitors--chemistry