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Demystifying P2Y(1) Receptor Ligand Recognition through Docking and Molecular Dynamics Analyses
We performed a molecular modeling analysis of 100 nucleotide-like bisphosphates and 46 non-nucleotide arylurea derivatives previously reported as P2Y(1)R binders using the recently solved hP2Y(1)R structures. We initially docked the compounds at the X-ray structures and identified the binding modes...
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| Publicado no: | J Chem Inf Model |
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| Principais autores: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5953180/ https://ncbi.nlm.nih.gov/pubmed/29182323 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00528 |
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