DOCK 3.8

DOCK 3.8 is written in Fortran (and some C); it is an update of DOCK 3.7 with many improved features. It uses new Flexibase/DB2 files found on ZINC.

If you use DOCK3.8, please cite the following paper: Coleman, Carchia, Sterling, Irwin and Shoichet. PLOS ONE 2013.

Highlights of new features:

• New mol2 output with full atom typing and bond information
• Improved sampling algorithm with better control of sampling
• Multiple ligand pose output
• Decreased memory usage
• Improved hydroxyl sampling
• Per atom scoring function breakdowns
• Removed clashed conformation generation

Why Use DOCK?