GOLD is a program for calculating the docking modes of small molecules
into protein binding sites. The product of a collaboration between the
University of Sheffield, GlaxoSmithKline plc and CCDC, GOLD is very
highly regarded within the molecular modelling community for its
accuracy and reliability.

GOLD features:

A genetic algorithm (GA) for protein-ligand docking
Full ligand flexibility and partial protein flexibility during docking
Energy functions partly based on conformational and non-bonded contact
information from the CSD
A choice of scoring functions: GoldScore, ChemScore and User defined
score. The GOLD Scoring Function Application Programming Interface (API)
allows users to modify the GOLD scoring-function mechanism in order to:

implement their own scoring function or enhance existing scoring
functions
customise docking output
A variety of constraint options
SILVER, for post-processing docking results
Automatic consideration of cavity bound water molecules
Improved handling and control of metal coordination geometries
Automatic derivation of GA settings for particular ligands
GOLD has been fully validated against 305 diverse and extensively
checked protein-ligand complexes from the PDB (CCDC/Astex Test Set). 72%
of GOLD's top-ranked solutions were found to be accurate using stringent
success criteria.

GOLD's genetic algorithm parameters are optimised for virtual screening
applications. GOLD is optimised for parallel execution on processor
networks; a distributed version of GOLD is available for use on
commercial PC GRID systems.

SILVER - Post-processing of Docking Results

SILVER is a new program included for use with GOLD and can be used to
post-process docking results for large numbers of ligands. SILVER allows
easy set-up and calculation of a variety of customisable descriptors
(parameters that describe dockings) that quantify, amongst other things:

the hydrogen-bonding interactions that occur between protein and docked
ligand
the H-bond interactions that do not occur, e.g. a protein H-bond donor
that is prevented from forming a hydrogen bond by a ligand hydrophobic
group
other close contacts between protein and ligand
the buried surface area of the ligand, or of certain types of atoms in
the ligand (e.g. hydrophobic atoms)
whether particular regions of the binding site are occupied by the
ligand
simple properties such as the number of H-bonding ligand atoms,
molecular weight of ligand, number of rotatable bonds

Although not its primary purpose, SILVER also serves as a browser for
visualising protein-ligand dockings from GOLD.

http://www.ccdc.cam.ac.uk/products/life_sciences/gold/

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