Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge. [electronic resource]
- Journal of computer-aided molecular design 09 2016
- 695-706 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
1573-4951
10.1007/s10822-016-9941-0 doi
Algorithms Binding Sites Crystallography, X-Ray Drug Design HSP90 Heat-Shock Proteins--chemistry Intracellular Signaling Peptides and Proteins--chemistry Ligands Models, Molecular Protein Binding Protein Conformation Protein Serine-Threonine Kinases--chemistry Small Molecule Libraries--chemistry User-Computer Interface