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Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+).
J Phys Chem A. 2014 Sep 4;118(35):7349-59. doi: 10.1021/jp412055r. Epub 2014 Jan 22.
J Phys Chem A. 2014.
PMID: 24405171
Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation.
Chutia S, Rossi M, Blum V.
Chutia S, et al.
J Phys Chem B. 2012 Dec 27;116(51):14788-804. doi: 10.1021/jp3098268. Epub 2012 Dec 10.
J Phys Chem B. 2012.
PMID: 23171405
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