Saturday, September 25, 2010

CCDC GOLD Suite 4.12 - CADD Molecular Docking software

The GOLD Suite consists of the following packages: Hermes for 3D visualisation pre- and post-docking, interactive docking setup.Hermes is a 3D visualiser with particular emphasis on functionality for the analysis of protein-ligand interactions.GOLD for protein-ligand docking:GOLD is a program for calculating the docking modes of small molecules in protein binding sites and is provided as part of the GOLD Suite, a package of programs for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post-processing (GoldMine) and visualisation of docking results. Hermes acts as a hub for many of CCDCs products, for more information please refer to the Hermes product page.GoldMine for post-processing of docking results:GoldMine is a tool for post-processing of GOLD docking results.
GoldMine can be used to combine and analyse several docking runs, e.g. docking runs carried out against different protein models may be combined within a GoldMine database and analysed for selectivity and specificity.Docking runs carried out using one protein model but scored using different scoring functions may also be combined and evaluated within a GoldMine database. GoldMine is provided as part of the GOLD Suite, a package of programs for structure visualisation and manipulation (Hermes), for protein-ligand docking (GOLD) and for post- processing (GoldMine) and visualisation of docking results.

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