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Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories

While lattice models are used extensively for macromolecules (synthetic polymers proteins, etc), calculation of the absolute entropy, S, and the free energy, F, from a given Monte Carlo (MC) trajectory is not straightforward. Recently we have developed the hypothetical scanning MC (HSMC) method for...

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Bibliographische Detailangaben
Hauptverfasser: White, Ronald P., Funt, Jason, Meirovitch, Hagai
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2005
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC1540743/
https://ncbi.nlm.nih.gov/pubmed/16912812
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cplett.2005.06.002
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