We are pleased to announce the release of DOCK 6.13.
DOCK is a suite of programs for molecular docking.
The source code for DOCK 6.13 is available for download and free
for academic users at https://dock.compbio.ucsf.edu/DOCK_6/index.htm
This release includes new methods for de novo design:
new biasing algorithms in DOCK_DN enable the prioritization of both
fragments and torsions. Combined with parallel-based clustering and
pruning algorithms that enable the efficient removal of duplicate
molecules during growth, these approaches lead to ensembles
with more drug-like characteristics. A number of incremental
improvements are also available in this release notably for
DOCK's genetic algorithm DOCK_GA and for Descriptor Score.
For full information on what is new in DOCK 6.13, please visit:
https://dock.compbio.ucsf.edu/DOCK_6/new_in_6.13.txt
Sincerely,
The DOCK Team
Please visit us at the DOCK Web site.
https://dock.compbio.ucsf.edu
