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A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes

G protein-coupled receptors (GPCRs) are a main drug target and therefore a hot topic in pharmaceutical research. One important prerequisite to understand how a certain ligand affects a GPCR is precise knowledge about its binding mode and the specific underlying interactions. If no crystal structure...

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Detalles Bibliográficos
Autores principales:	Söldner, Christian A., Horn, Anselm H. C., Sticht, Heinrich
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6514967/ https://www.ncbi.nlm.nih.gov/pubmed/31013635 http://dx.doi.org/10.3390/ijms20081970

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