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  Time- and ensemble-average statistical mechanics of the Gaussian network model

Lapolla, A., Vossel, M., & Godec, A. (2021). Time- and ensemble-average statistical mechanics of the Gaussian network model. Journal of Physics A, 54(35): 355601. doi:10.1088/1751-8121/ac16e4.

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Lapolla, A.1, Author              
Vossel, M.1, Author              
Godec, A.1, Author              
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1Research Group of Mathematical Biophysics, MPI for Biophysical Chemistry, Max Planck Society, ou_2396692              

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Free keywords: conformation dynamics, projected physical observables, elastic net-work, network models of macromolecules, Fokker–Planck equation, occupation time, covariance matrix
 Abstract: We present analytical results for a set of time- and ensemble-averaged physical observables in the non-Hookean Gaussian network model (GNM)—a generalization of the Rouse model to elastic networks with links that display a certain degree of extensional and rotational stiffness. We focus on a set of coarse-grained observables that may be of interest in the analysis of GNM in the context of internal motions in proteins and mechanical frames in contact with a heat bath. A C++ computer code is made available that implements all analytical results.

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Language(s): eng - English
 Dates: 2021-08-092021-09-03
 Publication Status: Published in print
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 Rev. Type: Peer
 Identifiers: DOI: 10.1088/1751-8121/ac16e4
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Title: Journal of Physics A
Source Genre: Journal
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Pages: 30 Volume / Issue: 54 (35) Sequence Number: 355601 Start / End Page: - Identifier: -