Binding of divalent cations to acetate: molecular simulations guided by Raman spectroscopy-Reference-Cited by-同舟云学术

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

Published:2020 Issue:41 Volume:22 Page:24014-24027
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mendes de Oliveira Denilson¹²³⁴^ORCID,Zukowski Samual R.¹²³⁴,Palivec Vladimir⁵⁶⁷⁸⁹^ORCID,Hénin Jérôme¹⁰¹¹¹²¹³¹⁴^ORCID,Martinez-Seara Hector⁵⁶⁷⁸⁹^ORCID,Ben-Amotz Dor¹²³⁴^ORCID,Jungwirth Pavel⁵⁶⁷⁸⁹^ORCID,Duboué-Dijon Elise⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. Department of Chemistry

2. Purdue University

3. West Lafayette

4. USA

5. Institute of Organic Chemistry and Biochemistry

6. Academy of Sciences of the Czech Republic

7. Flemingovo nám. 2

8. 16610 Prague 6

9. Czech Republic

10. CNRS, Université de Paris

11. UPR 9080

12. Laboratoire de Biochimie Théorique

13. 13 Rue Pierre et Marie Curie

14. Paris

Abstract

We combine Raman-MCR vibrational spectroscopy experiments with ab initio and classical MD simulations to gain molecular insights into carboxylate–cation binding.

Funder

Agence Nationale de la Recherche

European Molecular Biology Organization

Grantová Agentura České Republiky

National Science Foundation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP02987D

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