What's new in DOCK 6.0

From DISI
Revision as of 22:29, 19 September 2006 by JohnIrwin (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to navigation Jump to search

The new features of DOCK 6 include: additional scoring options during minimization; DOCK 3.5 scoring-including Delphi electrostatics, ligand conformational entropy corrections, ligand desolvation, receptor desolvation; Hawkins-Cramer-Truhlar GB/SA solvation scoring with optional salt screening; PB/SA solvation scoring; AMBER scoring-including receptor flexibility; the full AMBER molecular mechanics scoring function with implicit solvent; conjugate gradient minimization and molecular dynamics simulation capabilities.

Retrieved from "http://wiki.docking.org/index.php?title=What%27s_new_in_DOCK_6.0&oldid=4681"