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Directors:
Randolph E. Bank
Philip E. Gill
Michael Holst

Administrative Contact:
Terry Le

Office: AP&M 7431
Phone: (858)534-9813
Fax: (858)534-5273
E-mail: tele@ucsd.edu
High throughput docking -- How can mathematics help?

Jianwei Che
Genomics Institute of the Novartis Research Foundation

Abstract:

In this presentation, I will briefly introduce the concept ofhigh throughput docking (HTD) and how it is used in pharmaceutical andbiotech industries. A successful HTD requires not only accuratedescription of molecular interactions, but also efficient numericalalgorithms. A couple of computational methods that we have developed fordocking will be discussed. They demonstrate how this practical problemcan greatly benefit from relatively simple mathematical methods. I willalso discuss some challenges ahead for further improving HTD and generalhigh throughput virtual screening.

Tuesday, October 17, 2006
11:00AM AP&M 2402