Date/Time
Date(s) - 02/12/2009
3:20 pm - 4:20 pm

Title: Modeling Dynamical Processes and Interactions in Biological Systems

Speaker: Dr. Mikko Karttunen

Institute: Department of Applied Mathematics
University of Western Ontario

Location: ABB 102

Description:

I will discuss how computational modeling can be used to identify fundamental physical interaction mechanisms in biological systems. The methods discusses here are atomic-level molecular dynamics simulations and systematic coarse-graining in order to model systems beyond nanosecond-nanometer scales [1]. As the first example, I will use simple lipid diffusion. The mechanisms behind it have been long debated but computer simulations have provided a new paradigm. The second example focuses on the binding of peptides on solid surfaces in biomineralization with a particular interest in kidney stone formation. In the third case I will discuss micellization and fission, or rupture, of charged micelles. A new fission pathway is suggested. In all the cases I will address the questions of how simulations can be compared with experiments, and how simulations can provide experimentally testable predictions. Finally, time permitting, I will discuss simulation artifacts.