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Simple Model of Protein Energetics To Identify Ab Initio Folding Transitions from All-Atom MD Simulations of Proteins

[Image: see text] A fundamental requirement to predict the native conformation, address questions of sequence design and optimization, and gain insights into the folding mechanisms of proteins lies in the definition of an unbiased reaction coordinate that reports on the folding state without the nee...

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Dades bibliogràfiques
Publicat a:J Chem Theory Comput
Autors principals: Meli, Massimiliano, Morra, Giulia, Colombo, Giorgio
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2020
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC8009504/
https://ncbi.nlm.nih.gov/pubmed/32693598
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c00524
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