CCL: Ligand Docking with GOLD
- From: Paul Hawkins <phawkins~~eyesopen.com>
- Subject: CCL: Ligand Docking with GOLD
- Date: Fri, 03 Feb 2006 09:00:32 -0700
Sent to CCL by: Paul Hawkins [phawkins:+:eyesopen.com]
Try these for a starting point:
Warren et al J. Med. Chem., 2005 ASAP.
Cummings et al J. Med. Chem., 2005, 48, 962.
Bissantz et al J. Med. Chem., 200, 43, 4759.
Chen et al. JCIM 2006, 46, 401.
Kontoyanni et al. J. Comput. Chem., 2005, 26, 11.
Evers et al. J. Med. Chem., 2005, 48, 962 and 1088.
Kellenberger et al. Proteins, 2004, 57, 225.
Cotesta et al. Proteins, 2005, 60, 629.
Klon et al. JCICS, 2004, 44, 2216.
Thomas et al., J. Med. Chem., 2006, 49, 92.
Vigers and Rizzi, J. Med. Chem., 2004, 47, 80.
Docking comparisons have been very popular lately.........
But see Cole et al. Proteins, 2005, 60, 325 for some caveats on these
sorts of comparisons.
Paul.
Paul Hawkins
Senior Applications Scientist
OpenEye Scientific Software
Thomas Steinbrecher steinbrt^-^uni-freiburg.de wrote:
Sent to CCL by: "Thomas Steinbrecher" [steinbrt[a]uni-freiburg.de]
Dear CCLers,
can somebody point me to a review article that compares the performance of the
GOLD ligand docking program to other commonly available docking tools like
FlexX, AutoDock etc. ?
Kind Regards,
Thomas Steinbrecher>