Speaker: Sukit Leekumjorn
Title: Molecular Dynamics Simulations for the Study of Biophysical Processes on
Biological Membranes
Date: Thu, 4/3/2008
Time: 1.00 pm
Location: 100S5 Hancock Hall
Abstract:
Computer simulations are an invaluable tool for probing molecular interactions
and understanding the behavior of biomolecular systems. In many instances,
molecular simulations are complementary to experimental measurements, and in
other cases, they are an enabling tool to study and understand complex systems
and natural phenomena that would otherwise be difficult or even impossible to
study by laboratory measurements. As such, molecular simulations have become
indispensible in the molecular understanding of biochemical and biophysical
processes.

This talk will focus on two specific biological processes that are associated
with biological membranes: membrane stabilization and fatty acid-induced
toxicity. In the first study, we perform a comprehensive analysis of the phase
transition of lipid bilayers and investigate the interactions of stabilizing
agents (glucose or trehalose) with lipid bilayers under dehydrated conditions
to understand the mechanisms for preservation of cellular systems. The second
study integrates in vitro and in silico experiments to reveal the biophysical
interactions of fatty acids and trehalose with cellular membranes to gain
insight into the mechanism for fatty acid-induced toxicity. These studies are
the first step toward broadening our knowledge to prevent and treat
obesity-associated cirrhosis diseases.