Ye, Zhaofeng

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