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Mean field approximation in conformation dynamics
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Friesecke, Gero, Junge, Oliver and Koltai, Peter (2009) Mean field approximation in conformation dynamics. Multiscale Modeling & Simulation, Vol.8 (No.1). pp. 254-268. doi:10.1137/080745262 ISSN 1540-3459.
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Official URL: http://dx.doi.org/10.1137/080745262
Abstract
We propose a new approach to the transfer operator based analysis of the conformation dynamics of molecules. It is based on a statistical independence ansatz for the eigenfunctions of the operator related to a partitioning into subsystems. Numerical tests performed on small systems show excellent qualitative agreement between mean field and exact model, at greatly reduced computational cost.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QA Mathematics Q Science > QC Physics |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Mathematics | ||||
Journal or Publication Title: | Multiscale Modeling & Simulation | ||||
Publisher: | World Scientific Publishing Co. Pte. Ltd. | ||||
ISSN: | 1540-3459 | ||||
Official Date: | 2009 | ||||
Dates: |
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Volume: | Vol.8 | ||||
Number: | No.1 | ||||
Number of Pages: | 15 | ||||
Page Range: | pp. 254-268 | ||||
DOI: | 10.1137/080745262 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access | ||||
Funder: | Bavarian State Ministry of Sciences, Research and Arts |
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