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Demonstration of the Multiple Ligand Simultaneous Docking molecular modeling program.

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Published on Jun 21, 2012

The in silico drug design program called Multiple Ligand Simultaneous Docking (MLSD) is used to test the "fit" of potential inhibitor molecules to the active site of a target enzyme. This animation simulates two ligands competing and cooperating on a protein disease target drug site simultaneously. Optimal ligands searched through this method can be used to produce novel drug candidates. This general method that can be applied to any therapeutic target. The program was developed by the laboratory of Chenglong Li, PhD, associate professor of Medicinal Chemistry and Biophysics, The Ohio State University College of Pharmacy, and a member of the Experimental Therapeutics Program at Ohio State University's Comprehensive Cancer Center -- James Cancer Hospital and Solove Research Institute.

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