Michael Mysinger's Charge-Matched DUD

This is a charge-matched version of DUD, used in our rapid context-dependent ligand-desolvation paper. If you use it, please cite:

Mysinger, M. M.; Shoichet, B. K. "Rapid Context-Dependent Ligand Desolvation in Molecular Docking" J Chem Inf Model 50:1561-73 (2010). DOI: 10.1021/ci100214a

It was built using an early version of the automated decoy generation tool now available at decoys.docking.org. The decoys were made dissimilar from the ligands using daylight fingerprints with a tanimoto cutoff of 0.5.

Please direct correspondence to jji (at) cgl dot ucsf dot edu.

Last updated May 25, 2012. Problems with this page to support at docking dot org please.