Rare Event Sampling as a Method to Uncover Mechanism in Diverse Biophysical Systems

This talk will be an overview of a variety of the research areas in my group. We study mainly biological systems such as enzymes and the protein complexes of cardiac muscle. The processes we study (e.g. chemical reactions in enzymes, or the generation of force in muscle) occur on timescales far too long to be accessible to standard classical and quantum simulation techniques. We have developed and applied methods to surmount this difficulty. In particular we will address why artificial enzymes have been so hard to design given the vast advances in structural prediction, and how single point mutation in 1 protein of a complex can exert deleterious effects over 150 angstroms from the site of mutation.

http://schwartzgroup1.arizona.edu/steve