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
Literature & Tutorials:
This record last updated: 04-18-2014