Ianscottknight: Created page with "Dockmaster enables the efficient search for the optimal DOCK parameters of a given target receptor as evaluated by the amount of enrichment witnessed in retrospective docking...."

2022-07-25T22:14:07Z

Created page with "Dockmaster enables the efficient search for the optimal DOCK parameters of a given target receptor as evaluated by the amount of enrichment witnessed in retrospective docking...."

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Dockmaster enables the efficient search for the optimal DOCK parameters of a given target receptor as evaluated by the amount of enrichment witnessed in retrospective docking.

The DOCK program is parametrized by an [[INDOCK| INDOCK file]] and several “dockfiles”, which inform the program how to score input molecules.

These dockfiles can be produced in automated fashion by the blastermaster program, which takes a receptor file and ligand file as input.

Dockmaster - Revision history

Ianscottknight: Created page with "Dockmaster enables the efficient search for the optimal DOCK parameters of a given target receptor as evaluated by the amount of enrichment witnessed in retrospective docking...."