Reconciling MA′AT and molecular dynamics models of linkage conformation in oligosaccharides
Author:
Affiliation:
1. Department of Chemistry and Biochemistry
2. University of Notre Dame
3. Notre Dame
4. USA
5. Complex Carbohydrate Research Center
6. University of Georgia
7. Athens
8. Radiation Laboratory
Abstract
MA′AT conformational models of the phi torsion angles of O-glycosidic linkages differ from those obtained from MD simulation.
Funder
National Science Foundation
National Institutes of Health
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01389G
Reference21 articles.
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2. E. Juaristi and G.Cuevas , The Anomeric Effect , CRC Press , Boca Raton , 1995 , pp. 1–13 , 95–109
3. I. V. Alabugin . Stereoelectronic Effects – A Bridge Between Structure and Reactivity , Wiley , Chichester, UK , 2016 , pp. 129–133
4. Configurational Effects on the Proton Magnetic Resonance Spectra of Six-membered Ring Compounds1
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