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. Hermes acts as a hub for many of CCDC's products, for more information please refer to the Hermes product page.

Use GoldMine to:

• View and sort textual/numerical descriptor data for individual poses
• Generate histograms and scatterplots for numeric descriptors
• Filter your results in a sophisticated manner e.g. by setting ranges for descriptors and combining them using Boolean logic
• Analyse docking poses for multiple ligands/proteins
• Arithmetically manipulate fitness score components and descriptor values, enabling consensus scoring
• Calculate descriptive statistics for descriptors and correlation matrices between descriptors
• Establish best target specific analysis protocols for virtual screening
• Construct 3D Quantitative Structure Activity Relationships (QSAR)
• Calculate Euclidian distances
• Calculate hotspots for a selection of docking solutions, allowing trends in the docking solutions to be observed and used in the calculation of descriptors

A certain number of GoldMine user licences are usually provided as part of the GOLD software package. Extra licences may be purchased in addition. For a free evaluation of the GOLD Suite, normally available for those interested in purchase, please contact CCDC.