Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Understanding the binding mode of agonists to adrenergic receptors is crucial to enabling improved rational design of new therapeutic agents. However, so far the high conformational flexibility of G protein-coupled receptors has been an obstacle to obtaining structural information on agonist binding...

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Detalles Bibliográficos
Autores principales: Vanni, Stefano, Neri, Marilisa, Tavernelli, Ivano, Rothlisberger, Ursula
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2011
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3017103/
https://www.ncbi.nlm.nih.gov/pubmed/21253557
http://dx.doi.org/10.1371/journal.pcbi.1001053

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3017103/
https://www.ncbi.nlm.nih.gov/pubmed/21253557
http://dx.doi.org/10.1371/journal.pcbi.1001053

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