December 3, 2018
All Day
130 CBEC
Affiliation: University of Texas at Austin
Title: Computer simulations of longtime events in biological processes
Many molecular processes in cells occur on extended timescales of milliseconds and longer, presenting a significant challenge to conventional molecular dynamics simulations.
I will briefly discuss our theory and algorithm of Milestoning that makes it possible for us to study with atomically detailed simulations these extended times. Then I will describe a few examples:
(i) The operation of the Anthrax channel, (ii) Why does RNA collapse? and (iii) Passive transport of charged species through membranes. Joint work with Piao Ma, Clark Templeton, Alfredo Cardenas, and Arman Fathizadeh
Host: Steffen Lindert
