Abstract

Multi-scale approaches in description and design of enzymes

Anastassia Alexandrova
University of California, Los Angeles (UCLA)

We will build on the theme of the design of artificial enzymes that already has been developing in this Workshop. The ultimate goal of our research is to outdo Nature in catalysis, especially catalysis of reactions that are not catalyzable by any natural enzymes. The power and importance of multi-scale modeling in quality description, design, and rational improvement of enzymes will be demonstrated. Our most recent developments in this respect will also be introduced.