DOCK 3.6
DOCK 3.6 is written in Fortran (and some C); it is an update of DOCK 3.5.54 with many improved features. It maintains compatibility with Flexibase/DB files found on ZINC. Highlights of new features:
- Ligand Desolvation as described in Mysinger MM, Shoichet BK. Rapid context-dependent ligand desolvation in molecular docking. J Chem Inf Model. 2010 Sep 27; 50(9):1561-73.
- 300 to 500% speedup
- 32bit and 64bit versions
- Ligand build problems fixed (mol2db)
- Out-of-bounds checking inside DOCK
- Internal clash checking inside DOCK
Obtaining DOCK
- License Information
- DOCK Blaster uses DOCK 3.6
Documentation
Recent Contributors
- Michael Carchia
- Michael M. Mysinger
- John J. Irwin
- Brian K. Shoichet
- Kyle Petkovic
Contributed Tutorials
To download a free copy of Adobe Acrobat Reader to access pdf files, go to the Adobe website.