"A reoptimized GROMOS force field for hexopyranose-based carbohydrates ..."

Halvor S. Hansen, Philippe H. Hünenberger (2011)

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DOI: 10.1002/JCC.21675

access: closed

type: Journal Article

metadata version: 2020-05-30

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Halvor S. Hansen, Philippe H. Hünenberger:
A reoptimized GROMOS force field for hexopyranose-based carbohydrates accounting for the relative free energies of ring conformers, anomers, epimers, hydroxymethyl rotamers, and glycosidic linkage conformers. J. Comput. Chem. 32(6): 998-1032 (2011)

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