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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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Detalles Bibliográficos
Autores principales: Plattner, Nuria, Noé, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Pub. Group 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4506540/
https://www.ncbi.nlm.nih.gov/pubmed/26134632
http://dx.doi.org/10.1038/ncomms8653