Folding of Trp-cage Mini Protein Using Temperature and Biasing Potential Replica—Exchange Molecular Dynamics Simulations

Folding of Trp-cage Mini Protein Using Temperature and Biasing Potential Replica—Exchange Molecular Dynamics Simulations

The folding process of the 20 residue Trp-cage mini-protein was investigated using standard temperature replica exchange molecular dynamics (T-RexMD) simulation and a biasing potential RexMD (BP-RexMD) method. In contrast to several conventional molecular dynamics simulations, both RexMD methods sam...

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Bibliographic Details
Main Authors: Srinivasaraghavan Kannan, Martin Zacharias
Format: Article
Language:English
Published: MDPI AG 2009-03-01
Series:International Journal of Molecular Sciences
Subjects:
Conformational sampling
molecular dynamics simulation
protein folding
Replica Exchange.
Online Access:http://www.mdpi.com/1422-0067/10/3/1121/

Internet

http://www.mdpi.com/1422-0067/10/3/1121/

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