Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

Probing the Nanosecond Dynamics of a Designed Three-Stranded Beta-Sheet with a Massively Parallel Molecular Dynamics Simulation

Recently a temperature-jump FTIR study of a designed three-stranded sheet showing a fast relaxation time of ~140 ± 20 ns was published. We performed massively parallel molecular dynamics simulations in explicit solvent to probe the structural events involved in this relaxation. While our simulations...

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Bibliographic Details
Main Authors: Vincent A. Voelz, Edgar Luttmann, Gregory R. Bowman, Vijay S. Pande
Format: Article
Language:English
Published: MDPI AG 2009-03-01
Series:International Journal of Molecular Sciences
Subjects:
Ultrafast folding
downhill folding
DPDP
DPDP-II
designed beta- sheet proteins
Online Access:http://www.mdpi.com/1422-0067/10/3/1013/

Internet

http://www.mdpi.com/1422-0067/10/3/1013/

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