338 Database entries


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A genetic algorithm (GA) for protein-ligand docking
An easy to use interface with interactive docking set-up via Hermes
A comprehensive docking set-up wizard
Full ligand flexibility
Partial protein flexibility, including protein side chain and backbone flexibility for up to ten user-defined residues
Energy functions partly based on conformational and non-bonded contact information from the CSD
A variety of constraint options
Improved flexible ring handling
Automatic consideration of cavity bound water molecules
Improved handling and control of metal coordination geometries
Improved parameterisation for kinases and heme-containing proteins
Automatic derivation of GA settings for particular ligands
A choice of GoldScore, ChemScore, Astex Statistical Potential (ASP) or Piecewise Linear Potential (PLP) scoring functions
Extensive options for customising or implementing new scoring functions through a Scoring Function Application Programming Interface, allowing users to modify the GOLD scoring-function mechanism in order to either: implement their own scoring function or enhance existing scoring functions; customise docking output
A ChemScore Receptor Depth Scaling (RDS) rescore option so that the score attributed to hydrogen bonds is scaled depending on the depth in the binding pocket
Automatic rescoring with an alternate scoring function at the end of a docking run.

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