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Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group

by Camargo, Lilian T. F. de M, Signini, Roberta, Rodrigues, Allane C. C, Lopes, Yago Francisco, Camargo, Ademir J
Published in The journal of physical chemistry. B (13.08.2020)

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Aqueous solvation study of melatonin using ab initio molecular dynamics

by Rodrigues, Allane C.C., de M. Camargo, Lilian T.F., Francisco Lopes, Yago, Sallum, Lóide O., Napolitano, Hamilton B., Camargo, Ademir J.
Published in Journal of molecular liquids (01.12.2021)

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Ab Initio Molecular Dynamics Simulations of Aqueous Glucosamine Solutions: Solvation Structure and Mechanism of Proton Transfer from Water to Amino Group

Aqueous solvation study of melatonin using ab initio molecular dynamics

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