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Royal Society of Chemistry, Physical Chemistry Chemical Physics, 2(19), p. 1431-1440

DOI: 10.1039/c6cp06107a

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Conformational and entropy analyses of extended molecular dynamics simulations of α-, β- and γ-cyclodextrins and of the β-cyclodextrin/nabumetone complex

Journal article published in 2017 by Dimas Suárez ORCID, Natalia Díaz
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The conformational entropies of cyclodextrins and of the β-CD/nabumetone complex are assessed by means of extensive MD simulations.