Ridgway Scott : Foundations of biomaterials: Models of protein solvation

Posted by Ryan Martin , part of the Departmental Colloquium.

At

Nov. 8, 2013, 3 p.m.

In

SEO 636

Abstract

We discuss both continuum and atomic scale models of solvation and the hydrophobic effect. We describe their application to modeling of protein-ligand interactions. A key result is the development of a nonlocal model that can be computed in only twice the time required for the standard model, despite the fact that formally the nonlocal model is a six-dimensional PDE.