Coarse-grained Parameterizations of Biomolecular Systems

Tuesday, January 15, 2008 - 9:35am - 10:05am
EE/CS 3-180
Peter Kramer (Rensselaer Polytechnic Institute)
I discuss two ongoing research programs concerning stochastic
microphysical models in biology. First, in joint work with Grigorios
Pavliotis (Imperial College) and Juan Latorre, we apply the methods of
homogenization theory to compute transport properties for mathematical
models (Brownian motors) of molecular motors in cells. The objective
is to ascertain how the design properties of the motor affect its
function. Secondly, in joint work with Shekhar Garde and Adnan Khan,
we explore a simple stochastic model for the behavior of water
molecules near a solute surface which has the potential for improving
substantially upon Brownian dynamics models more conventionally used
in engineering applications. We use exactly solvable mathematical
models as a testbed for addressing some basic data-driven
parameterization issues.
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