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An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins
Matsui, Toru, Baba, Takeshi, Kamiya, Katsumasa, Shigeta, YasuteruVolume:
14
Year:
2012
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/C2CP23069K
File:
PDF, 1.67 MB
english, 2012