Department of Chemical Sciences
School of Natural Sciences

April 28, 2014 at 4.00 pm in AG-69

Title :

Elastic Network Model in describing equilibrium properties of proteins

Abstract :

In this talk, I will describe why elastic network model (ENM) is a faster alternative to standard molecular dynamics (MD) simulations in understanding the dynamics of proteins under equilibrium conditions. I will discuss the approaches taken for optimal parametrization of the model and how the parameters are used to study intrinsic flexibility of proteins. I will also talk about some future applications of ENM in studying specific functional motions of proteins.