Rational prediction with molecular dynamics for hit identification. [electronic resource]
- Current topics in medicinal chemistry 2012
- 2002-12 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.; Review
1873-4294
10.2174/156802612804910313 doi
Binding Sites Computational Biology--methods Drug Design Drug Discovery--methods Drug Evaluation, Preclinical--methods Molecular Docking Simulation Molecular Dynamics Simulation Proteins--chemistry ROC Curve Software