Docking glossary; Receptor or host or lock The 'receiving' molecule, most commonly a protein or other biopolymer. Ligand or guest or key The complementary partner. 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 (Gold. Mine) 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. Structural Biology Software Database. FlexX is a computer program for predicting protein-ligand interactions. GRAMM is a free program for protein docking. GOLD Protein-Ligand Docking GOLD is a program for calculating the docking. AutoDock is a suite of automated docking tools. Problem of exploring conformational space of flexible rings in protein-ligand docking is examined using the program GOLD. GOLD's top- ranked solutions were found to be accurate using stringent success criteria. A further 8. 5 diverse, high quality drug- like complexes have been validated; GOLD reproduces the observed binding mode within 2. Angstroms for 8. 1% of the structures (Astex Diverse Set). More recently the Astex Diverse Set has been used to analyse GOLD's cross- docking performance (the Astex Non Native Set). GOLD is optimised for parallel execution on processor networks; a distributed version of GOLD is available for use on commercial PC GRID systems.
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