Molecular Simulation of the Separation of Isoleucine Enantiomers by β-Cyclodextrin

Molecular Simulation of the Separation of Isoleucine Enantiomers by β-Cyclodextrin

Molecular mechanics and dynamics simulations were carried out to study the capacity of isoleucine enantiomers to form inclusion complexes with β–cyclodextrin, and to be discriminated by this chiral compound, in vacuo and with different solvents. Solvents were characterized not onl...

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Bibliographic Details
Main Author:	Elena Alvira
Format:	Article
Language:	English
Published:	MDPI AG 2019-03-01
Series:	Molecules
Subjects:	cyclodextrins isoleucine enantiomers interaction energy molecular mechanics molecular dynamics inclusion complex elution order
Online Access:	http://www.mdpi.com/1420-3049/24/6/1021

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