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A critical perspective on Markov state model treatments of protein–protein association using coarse-grained simulations

Atomic-level information is essential to explain the specific interactions governing protein–protein recognition in terms of structure and dynamics. Of particular interest is a characterization of the time-dependent kinetic aspects of protein–protein association and dissociation. A powerful framewor...

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Publicat a:J Chem Phys
Autors principals: He, Ziwei, Paul, Fabian, Roux, Benoît
Format: Artigo
Idioma:Inglês
Publicat: AIP Publishing LLC 2021
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7902085/
https://ncbi.nlm.nih.gov/pubmed/33639768
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0039144
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