What's new in DOCK 6.0: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
m (2 revisions) |
Revision as of 20:33, 8 October 2012
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.