Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy.

Mendes de Oliveira, Denilson; Zukowski, Samual R; Palivec, Vladimir; Hénin, Jérôme; Martinez-Seara, Hector; Ben-Amotz, Dor; Jungwirth, Pavel; Duboué-Dijon, Elise.

Afiliação

Mendes de Oliveira D; Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA. bendor@purdue.edu.
Zukowski SR; Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA. bendor@purdue.edu.
Palivec V; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic. pavel.jungwirth@uochb.cas.cz.
Hénin J; CNRS, Université de Paris, UPR 9080, Laboratoire de Biochimie Théorique, 13 Rue Pierre et Marie Curie, 75005, Paris, France and Institut de Biologie Physico-Chimique-Fondation Edmond de Rothschild, PSL Research University, Paris, France. duboue-dijon@ibpc.fr.
Martinez-Seara H; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic. pavel.jungwirth@uochb.cas.cz.
Ben-Amotz D; Department of Chemistry, Purdue University, West Lafayette, Indiana 47907, USA. bendor@purdue.edu.
Jungwirth P; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic. pavel.jungwirth@uochb.cas.cz.
Duboué-Dijon E; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 16610 Prague 6, Czech Republic. pavel.jungwirth@uochb.cas.cz and CNRS, Université de Paris, UPR 9080, Laboratoire de Biochimie Théorique, 13 Rue Pierre et Marie Curie, 75005, Paris, France

Phys Chem Chem Phys ; 22(41): 24014-24027, 2020 Oct 28.

Article em En | MEDLINE | ID: mdl-33078182

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2020 Tipo de documento: Article