The MPSim-Dock hierarchical docking algorithm application to the eight trypsin inhibitor cocrystals

The MPSim-Dock hierarchical docking algorithm : application to the eight trypsin inhibitor cocrystals

To help improve the accuracy of protein-ligand docking as a useful tool for drug discovery, we developed MPSim-Dock, which ensures a comprehensive sampling of diverse families of ligand conformations in the binding region followed by an enrichment of the good energy scoring families so that the ener...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 26(2005), 1 vom: 15. Jan., Seite 48-71
1. Verfasser: Cho, Art E (VerfasserIn)
Weitere Verfasser: Wendel, John A, Vaidehi, Nagarajan, Kekenes-Huskey, Peter M, Floriano, Wely B, Maiti, Prabal K, Goddard, William A 3rd
Format: Aufsatz
Sprache:English
Veröffentlicht: 2005
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte: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. Ligands Trypsin Inhibitors