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

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Lapolla,  A.
Research Group of Mathematical Biophysics, MPI for Biophysical Chemistry, Max Planck Society;

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Vossel,  M.
Research Group of Mathematical Biophysics, MPI for Biophysical Chemistry, Max Planck Society;

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Godec,  A.
Research Group of Mathematical Biophysics, MPI for Biophysical Chemistry, Max Planck Society;

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Citation

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.


Cite as: https://hdl.handle.net/21.11116/0000-0009-16D9-A
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.