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In-Solution Conformational Analysis of the XCYCH(3) Moiety for Small Esters and Ethers with all Combinations of X, Y = O, S
Favorable steric and electrostatic fit of a ligand to a receptor is of central interest in theoretical drug design. This paper considers the effects of non-protic solvents, in comparison with the gas phase, on the preferred conformation of the XCYCH(3) moiety of simple aliphatic esters and heterocyc...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6270607/ https://www.ncbi.nlm.nih.gov/pubmed/23884136 http://dx.doi.org/10.3390/molecules18078063 |