Computing Structures and Properties of Proteins in Parallel computers
by
Prof.Chin-Kun Hu(Institute of Physics, Academia Sinica, Taipei)
→
Europe/Stockholm
Nordita Seminar Room
Nordita Seminar Room
Description
In this talk, I briefly review some recent developments in
computing structures and properties of proteins in parallel
computers. The topics under discussion include:
1. developments of algorithms and computer packages for all-atom simulations of proteins in parallel computers,
2. parallel tempering simulations of HP-36
3. development of algorithm to compute volume V, surface area A, and cavity of proteins by analytic equations in parallel computers,
4. new force replica exchange method and protein folding pathways probed by force-clamp technique and related problems.
