Ab initio investigation of the first hydration shell of glucose.
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DOI: 10.1016/j.carres.2020.108114
Abstract: The interaction between sugars and water molecules plays a crucial role in exploring the complex metabolic reactions of living systems. The fully random conformational search is employed to investigate the first hydration shell structure of… read more here.
Keywords: water; first hydration; water molecules; hydration shell ... See more keywords