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Supporting data files for "Binding of Biologically Relevant Divalent Cations to Aqueous Carboxylates: Molecular Simulations Guided by Raman Spectroscopy"

Elise Duboué-Dijon

Parameter files and typical simulation input files that allow replication of the computational work presented in the paper "Binding of Biologically Relevant Divalent Cations to Aqueous Carboxylates: Molecular Simulations Guided by Raman Spectroscopy", authored by Denilson Mendes de Oliveira, Samual R. Zukowski, Vladimir Palivec, Jérôme Hénin, Hector Martinez Seara, Dor Ben Amotz, Pavel Jungwirth and Elise Duboué-Dijon

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1-forcefields.tar.gz
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2-GromacsInputFiles.tar.gz
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3-AIMD-input.tar.gz
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