Nonconventional NMR Spin-Coupling Constants in Oligosaccharide Conformational Modeling: Structural Dependencies Determined from Density Functional Theory Calculations
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-5670, United States
2. Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556-5670, United States
Funder
Division of Chemistry
Omicron Biochemicals, Inc.
Publisher
American Chemical Society (ACS)
Subject
General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c02793
Reference53 articles.
1. Conformational Studies of Oligosaccharides
2. New NMR Tools for Characterizing the Dynamic Conformations and Interactions of Oligosaccharides
3. Comprehensive characterization of oligosaccharide conformational ensembles with conformer classification by free-energy landscape via reproductive kernel Hilbert space
4. Predicting the Structures of Glycans, Glycoproteins, and Their Complexes
5. Investigation of Carbohydrate Recognition via Computer Simulation
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2. Glycosidic α-linked mannopyranose disaccharides: an NMR spectroscopy and molecular dynamics simulation study employing additive and Drude polarizable force fields;Physical Chemistry Chemical Physics;2023
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