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A DFT and Semiempirical Model-Based Study of Opioid Receptor Affinity and Selectivity in a Group of Molecules with a Morphine Structural Core
We report the results of a search for model-based relationships between mu, delta, and kappa opioid receptor binding affinity and molecular structure for a group of molecules having in common a morphine structural core. The wave functions and local reactivity indices were obtained at the ZINDO/1 and...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Hindawi Publishing Corporation
2012
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4207423/ https://www.ncbi.nlm.nih.gov/pubmed/25379287 http://dx.doi.org/10.1155/2012/682495 |