[Chimera-users] Announcement: Release of DOCK 6.6
sbrozell at rci.rutgers.edu
Fri Jan 4 20:02:33 PST 2013
We are pleased to announce the release of DOCK 6.6.
DOCK is a suite of programs for molecular docking.
In version 6.6 two new scoring functions are available:
Grid-based footprint scoring and SASA-based scoring.
The MultiGrid Footprint Score calculates the pair-wise interaction energies
over multiple grids. Important receptor residues are initially identified
with a reference ligand, and individual grids are generated to
model such residues.
The SASA score calculates the percent exposure of a ligand, and the
percentage of the hydrophobic portion of a ligand and the receptor that
are buried in the pocket.
In addition, a symmetry corrected RMSD (Hungarian matching) method was added
to facilitate pose reproduction studies.
For full information on what is new in DOCK 6.6, please visit:
The DOCK Team
Please visit us at the DOCK Web site.
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