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High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks

PURPOSE: G Protein-Coupled Receptors (GPCRs) are a large family of therapeutically important proteins and as diverse X-ray structures become available it is increasingly possible to leverage structural information for rational drug design. We present herein approaches that use explicit water network...

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Detalhes bibliográficos
Publicado no:In Silico Pharmacol
Main Authors: Mason, Jonathan S, Bortolato, Andrea, Weiss, Dahlia R, Deflorian, Francesca, Tehan, Benjamin, Marshall, Fiona H
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Berlin Heidelberg 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4796210/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/2193-9616-1-23
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