GOLD is an exciting new program for predicting how flexible molecules will bind to proteins - a problem of enormous significance in the rational design of drugs and combinatorial libraries. The most important requirement of such a program is that it should give reliable predictions. The reliability of GOLD has been established by rigorous testing on a demanding test set of 134 protein-ligand complexes selected from the Protein Data Bank. The proteins in this set include enzymes, metalloenzymes and antibodies, and many of the ligands are highly flexible.
Results are impressive.
Test results have been published in full and 3D GOLD predictions can be viewed on the Web. Includes experimental data taken from the CSD and IsoStar Developed in a collaboration between CCDC, the University of Sheffield and Glaxo Wellcome. Validation results published in J. Mol.