##### Department of Mathematics,

University of California San Diego

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### Math 278 - Numerical Analysis/Computational and Applied Math

## Jianwei Che

#### Genomics Institute of the Novartis Research Foundation

## High throughput docking -- How can mathematics help?

##### Abstract:

In this presentation, I will briefly introduce the concept of high throughput docking (HTD) and how it is used in pharmaceutical and biotech industries. A successful HTD requires not only accurate description of molecular interactions, but also efficient numerical algorithms. A couple of computational methods that we have developed for docking will be discussed. They demonstrate how this practical problem can greatly benefit from relatively simple mathematical methods. I will also discuss some challenges ahead for further improving HTD and general high throughput virtual screening.

Host: Philip Gill

### October 17, 2006

### 11:00 AM

### AP&M 7321

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