Slicing and Dicing: Optimal Coarse-Grained Representation to Preserve Molecular Kinetics

[Image: see text] The aim of molecular coarse-graining approaches is to recover relevant physical properties of the molecular system via a lower-resolution model that can be more efficiently simulated. Ideally, the lower resolution still accounts for the degrees of freedom necessary to recover the c...

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Detalles Bibliográficos
Autores principales: Yang, Wangfei, Templeton, Clark, Rosenberger, David, Bittracher, Andreas, Nüske, Feliks, Noé, Frank, Clementi, Cecilia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9951291/
https://www.ncbi.nlm.nih.gov/pubmed/36844497
http://dx.doi.org/10.1021/acscentsci.2c01200

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