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Collect. Czech. Chem. Commun. 2008, 73, 921-936

The Stabilization Energy of the GLU-LYS Salt Bridge in the Protein/Water Environment: Correlated Quantum Chemical ab initio, DFT and Empirical Potential Studies

Jan Řezáča, Karel Berkaa, Dominik Horinekb, Pavel Hobzaa,* and Jiří Vondrášeka,*

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i. and Center for Biomolecules and Complex Molecular Systems, Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
b Physik Department (T37), Technische Universität München, James Franck Strasse, 85748 Garching, Germany

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  • Klusák Vojtěch, Dobeš Petr, Černý Jiří, Vondrášek Jiří: How to fragment a polypeptide? An ab initio computational study of pair interactions between amino acids and ligand-amino acids in proteins. Collect. Czech. Chem. Commun. 2011, 76, 605. <>