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Molecular Dynamics Simulation of the P2Y(14) Receptor. Ligand Docking and Identification of a Putative Binding Site of the Distal Hexose Moiety
A rhodopsin-based homology model of the P2Y(14) receptor was inserted into a phospholipid bilayer and refined by molecular dynamics (MD) simulation. The binding modes of several known agonists, namely UDP-glucose and its analogues, were proposed using automatic molecular docking combined with Monte...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1821074/ https://ncbi.nlm.nih.gov/pubmed/17088057 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2006.10.081 |
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