TY  - GEN
AU  - Nichols,Sara E
AU  - Swift,Robert V
AU  - Amaro,Rommie E
TI  - Rational prediction with molecular dynamics for hit identification
SN  - 1873-4294
PY  - 2013///0722
KW  - Binding Sites
KW  - Computational Biology
KW  - methods
KW  - Drug Design
KW  - Drug Discovery
KW  - Drug Evaluation, Preclinical
KW  - Molecular Docking Simulation
KW  - Molecular Dynamics Simulation
KW  - Proteins
KW  - chemistry
KW  - ROC Curve
KW  - Software
N1  - 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
UR  - https://doi.org/10.2174/156802612804910313
ER  -