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Conformational Entropy of an Ideal Cross-Linking Polymer Chain
Department of Physics and Optical Science, University of North Carolina at Charlotte, USA
Department of Computer Science and Bioinformatics Research Center, University of North Carolina at Charlotte, USA
* Author to whom correspondence should be addressed.
Received: 8 August 2008; in revised form: 10 September 2008 / Accepted: 19 September 2008 / Published: 20 September 2008
Abstract: We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cross-links are sharply peaked over the temperature range of interest, and, are well approximated as statistically weighted Dirac delta-functions that enforce distance constraints. All geometrical deformations consistent with a set of distance constraints are integrated over. Exact results for a contiguous series of connected loops are employed to substantiate the validity of a previous phenomenological distance constraint model that describes protein thermodynamics successfully based on network rigidity.
Keywords: Conformational entropy; Mayer expansion; distance constraints; cross-linking; hydrogen bonds; network rigidity; protein stability
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Vorov, O.K.; Livesay, D.R.; Jacobs, D.J. Conformational Entropy of an Ideal Cross-Linking Polymer Chain. Entropy 2008, 10, 285-308.
Vorov OK, Livesay DR, Jacobs DJ. Conformational Entropy of an Ideal Cross-Linking Polymer Chain. Entropy. 2008; 10(3):285-308.
Vorov, Oleg K.; Livesay, Dennis R.; Jacobs, Donald J. 2008. "Conformational Entropy of an Ideal Cross-Linking Polymer Chain." Entropy 10, no. 3: 285-308.