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Conformational Analysis of Free and Bound Retinoic Acid
The conformational profiles of unbound all-trans and 9-cis retinoic acid (RA) have been determined using classical and quantum mechanical calculations. Sixty-six all-trans-RA (ATRA) and forty-eight 9-cis-RA energy minimum conformers were identified via HF/6-31G* geometry optimizations in vacuo. Thei...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3404496/ https://ncbi.nlm.nih.gov/pubmed/22844234 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct200813q |
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