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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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Bibliografski detalji
Glavni autori: Fu, Zheng, Li, Xue, Merz, Kenneth M.
Format: Artigo
Jezik:Inglês
Izdano: 2012
Teme:
Online pristup: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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