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Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

Understanding the structural mechanisms of protein–ligand binding and their dependence on protein sequence and conformation is of fundamental importance for biomedical research. Here we investigate the interplay of conformational change and ligand-binding kinetics for the serine protease Trypsin and...

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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: Plattner, Nuria, Noé, Frank
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Pub. Group 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4506540/
https://ncbi.nlm.nih.gov/pubmed/26134632
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/ncomms8653
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