Calculated conformer energies for organic molecules with multiple polar functionalities are method dependent: Taxol (case study)

BACKGROUND: Molecular mechanics (MM) and quantum chemical (QM) calculations are widely applied and powerful tools for the stereochemical and conformational investigations of molecules. The same methods have been extensively used to probe the conformational profile of Taxol (Figure 1) both in solutio...

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發表在:	BMC Chem Biol
Principais autores:	Lakdawala, Ami, Wang, Minmin, Nevins, Neysa, Liotta, Dennis C, Rusinska-Roszak, Danuta, Lozynski, Marek, Snyder, James P
格式:	Artigo
語言:	Inglês
出版:	BMC 2001
主題:	Research Article
在線閱讀:	https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC59844/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/11710970/ https://ncbi.nlm.nih.govhttps://doi.org/10.1186/1472-6769-1-2
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