We are pleased to announce the release of DOCK 6.12.
DOCK is a suite of programs for molecular docking.
The source code for DOCK 6.12 is available for download and free
for academic users at
https://dock.compbio.ucsf.edu/DOCK_6/index.htm
This release includes several major new features:
A new implementation of the hierarchical database search method of
DOCK 3 which samples ligand degrees of freedom from precomputed
conformations, a new covalent docking algorithm called attach-and-grow
which aligns covalent residues and dummy atoms on ligands to grow
conformations, a new receptor desolvation scoring function based on
GIST, and updates to the chemgrid scoring function to match DOCK 3.7.
For full information on what is new in DOCK 6.12, please visit:
https://dock.compbio.ucsf.edu/DOCK_6/new_in_6.12.txt
Sincerely,
The DOCK Team
Please visit us at the DOCK Web site.
https://dock.compbio.ucsf.edu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 12 2024 - 13:30:02 PDT
