| Literature DB >> 19777088 |
Oleg K Vorov1, Dennis R Livesay, Donald J Jacobs.
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.Entities:
Year: 2008 PMID: 19777088 PMCID: PMC2748956 DOI: 10.3390/e10030285
Source DB: PubMed Journal: Entropy (Basel) ISSN: 1099-4300 Impact factor: 2.524