High throughput docking -- How can mathematics help?
Genomics Institute of the Novartis Research Foundation
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
Center for Computational Mathematics9500 Gilman Dr. #0112La Jolla, CA 92093-0112Tel: (858)534-9813