Evaluating Partition Functions for Multiscale Models of DNA
Multiscale modeling has become a major focus in computational chemistry and biology in order to simulate systems of ever-increasing complexity. To properly treat such systems on multiple length scales, it is necessary to rigorously treat the momenta and coordinates of the individual entities that make up the system of interest. We use principles of polymer physics to model DNA on two different length scales: individual DNA base pairs and rigid cylinders composed of many base pairs. Our results yield rigorous expressions for the partition functions of these systems, from which equilibrium thermodynamic properties can be obtained.
Andreas Hanke, Stefan Giovan, Stephen D. Levene, Evaluating Partition Functions for Multiscale Models of DNA, Progress of Theoretical Physics Supplement, Volume 191, December 2011, Pages 109–129, https://doi.org/10.1143/PTPS.191.109
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