Modeling Biological Information Processing Pathways

When: Thursday, October 17, 2013 at 12:00 pm
Where: DA 114
Speaker: Dr. Anurag Sethi
Organization: Yale University
Sponsor: Biophysical Group Meeting

Macromolecules can be visualized as information processing machines that have evolved to perform certain tasks in specific contexts. The information contained in an organism’s DNA is translated into functional RNA and protein molecules dependent upon cues from the environment. In addition, information based upon the environment is typically transmitted within the context of a single macromolecule or through a cascade of proteins to ensure a particular outcome within the cell. Computationally intensive all-atom molecular dynamics simulations of biomolecules provide one of the most detailed approaches to study the role of its conformation and dynamics on biomolecular folding and function. I have developed methods that integrate information from concepts in evolutionary analysis, network theory, polymer models, statistical mechanics, and Bayesian statistics with molecular dynamics simulations to understand how complex biomolecules involved in information transfer function. These techniques will aid in understanding how biomolecules function efficiently and can be applied in biomolecular and drug design studies.