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A novel computer simulation method for simulating the multiscale transduction dynamics of signal proteins

Peter, Emanuel, Dick, Bernhard and Baeurle, Stephan A. (2012) A novel computer simulation method for simulating the multiscale transduction dynamics of signal proteins. The Journal of Chemical Physics 136, p. 124112.

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Date of publication of this fulltext: 23 Oct 2012 06:32

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Abstract

Signal proteins are able to adapt their response to a change in the environment, governing in this way a broad variety of important cellular processes in living systems. While conventional molecular-dynamics (MD) techniques can be used to explore the early signaling pathway of these protein systems at atomistic resolution, the high computational costs limit their usefulness for the elucidation of ...

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Item type:Article
Date:29 March 2012
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
10.1063/1.3697370DOI
Classification:
NotationType
87.15.apPACS
87.14.ejPACS
87.19.xjPACS
87.15.R-PACS
87.15.FhPACS
87.15.akPACS
Keywords:cancer, cell motility, enzymes, hydrogen bonds, microorganisms, molecular biophysics, molecular dynamics method, Monte Carlo methods
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:26504
Owner only: item control page

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