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Hybrid Molecular Mechanics/Coarse-Grained Simulations for Structural Prediction of G-Protein Coupled Receptor/Ligand Complexes

Understanding how ligands bind to G-protein coupled receptors (GPCRs) provides insights into a myriad of cell processes and is crucial for drug development. Here we extend a hybrid molecular mechanics/coarse-grained (MM/CG) approach applied previously to enzymes to GPCR/ligand complexes. The accurac...

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Detalles Bibliográficos
Autores principales:	Leguèbe, Michael, Nguyen, Chuong, Capece, Luciana, Hoang, Zung, Giorgetti, Alejandro, Carloni, Paolo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Public Library of Science 2012
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3477165/ https://www.ncbi.nlm.nih.gov/pubmed/23094046 http://dx.doi.org/10.1371/journal.pone.0047332

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