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Polarizable AMOEBA force field predicts thin and dense hydration layer around monosaccharides.

Chem. Commun., 2024, Accepted Manuscript
DOI: 10.1039/D4CC04415K, Communication
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Luke A Newman, Mackenzie G Patton, Breyanna A Rodriguez, Ethan W Sumner, Valerie Vaissier Welborn
Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters...
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