TY  - JOUR
TI  - AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
AU  - Garrett M. Morris
AU  - Ruth Huey
AU  - William Lindstrom
AU  - Michel F. Sanner
AU  - Richard K. Belew
AU  - David S. Goodsell
AU  - Arthur J. Olson
PY  - 2009
JO  - Journal of Computational Chemistry
DO  - 10.1002/jcc.21256
UR  - https://doi.org/10.1002/jcc.21256
AB  - We describe the testing and release of AutoDock4 and the accompanying graphical user interface AutoDockTools. AutoDock4 incorporates limited flexibility in the receptor. Several tests are reported here, including a redocking experiment with 188 diverse ligand-protein complexes and a cross-docking experiment using flexible sidechains in 87 HIV protease complexes. We also report its utility in analysis of covalently bound ligands, using both a grid-based docking method and a modification of the flexible sidechain technique.
ER  -