An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins

Toru Matsui, Takeshi Baba, Katsumasa Kamiya, Yasuteru Shigeta
  • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry
  • DOI: 10.1039/c2cp23069k
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The following have contributed to this page: Toru Matsui and Professor Yasuteru Shigeta