MEDock -- a web server for efficient prediction of ligand binding sites based on a novel optimization algorithm

What you can do:
Predict ligand binding sites in protein molecules with a Maximum-Entropy based docking Web server.
Highlights:
  • The MEDock web server incorporates a global search strategy that exploits the maximum entropy property of the Gaussian probability distribution in the context of information theory.
  • As a result of the global search strategy, the optimization algorithm incorporated in MEDock is significantly superior when dealing with very rugged energy landscapes, which usually have insurmountable barriers.
  • By predicting the location of binding sites this Web server facilitates the lead optimization process, the design of site-directed mutagenesis experiments and the hunt for structural features that influence the selectivity of binding in order to minimize the drug's adverse effects.
Keywords:
  • drug design
  • drug discovery
  • site-directed mutagenesis
  • ligand binding sites
  • protein ligand binding site prediction tool
This record last updated: 04-18-2014
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