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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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Bibliografske podrobnosti
Main Authors: Kannan, Srinivasaraghavan, Zacharias, Martin
Format: Artigo
Jezik:Inglês
Izdano: Molecular Diversity Preservation International (MDPI) 2009
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC2672022/
https://ncbi.nlm.nih.gov/pubmed/19399241
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms10031121
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