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Validation Studies of the Site-Directed Docking Program LibDock

J Chem Inf Model. 2007 47(6):2159-71

Rao S.N., Head M.S., Kulkarni A., and Lalonde J.M.

This joint publication between GlaxoSmithKline and Accelrys shows LibDock is one of the top performers among ten docking programs (Glide, GOLD, FlexX, Fred, MOE, Dock4, and others) when applied to eight receptor targets. Specific successes with LibDock include:

  • Best recovery of X-ray pose for HCV Polymerase and Factor Xa
  • Best enrichment of actives after within 10% of scored compounds in a virtual screening experiment with Gyrase B Isomerase

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