BMERC Seminar: OpenEye Scientific Software

Speaker:
Paul C. D. Hawkins, Ph.D.
Head of Scientific Solutions
OpenEye Scientific

Title: When thinking is just not enough: Computation for drug discovery at 10^0 to 10^10.

Abstract: This talk will highlight two applications of computation in modern drug discovery: similarity searching at scales up to and beyond 10^10 and ligand design using a rigorous understanding of both entropic and enthalpic contributions to conformational stability.