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Coarse-Grained Force Fields from the Perspective of Statistical Mechanics: Better Understanding of the Origins of a MARTINI Hangover

[Image: see text] The popular MARTINI coarse-grained model is used as a test case to analyze the adherence of top-down coarse-grained molecular dynamics models (i.e., models primarily parametrized to match experimental results) to the known features of statistical mechanics for the underlying all-at...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Chem Theory Comput
Prif Awduron: Jarin, Zack, Newhouse, James, Voth, Gregory A.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Chemical Society 2021
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC7876797/
https://ncbi.nlm.nih.gov/pubmed/33475352
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00638
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