Rational prediction with molecular dynamics for hit identification.

Nichols, Sara E

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