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An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules

[Image: see text] In theoretical modeling of a physical system, a crucial step consists of the identification of those degrees of freedom that enable a synthetic yet informative representation of it. While in some cases this selection can be carried out on the basis of intuition and experience, stra...

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Veröffentlicht in:J Chem Theory Comput
Hauptverfasser: Giulini, Marco, Menichetti, Roberto, Shell, M. Scott, Potestio, Raffaello
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2020
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7659038/
https://ncbi.nlm.nih.gov/pubmed/33108737
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00676
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