Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group
Author:
Affiliation:
1. Grupo de Química Teórica e Estrutural de Anápolis, Universidade Estadual de Goiás, Anápolis 75132-903, GO, Brazil
2. Instituto Federal de Educação, Ciência e Tecnologia de Goiás, Anápolis 75131-457, GO, Brazil
Funder
Funda??o de Amparo ? Pesquisa do Estado de Goi?s
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c03821
Reference67 articles.
1. Molecular mechanisms of anticancer effects of Glucosamine
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4. Molecular mechanisms and biomedical applications of glucosamine as a potential multifunctional therapeutic agent
5. Bacterial sensitivity and SOD behavior of N-pyrone glucosamine Schiff base Fe(III) complex: conjoint experimental-DFT evaluation
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