The prediction of protein pKa's using QM/MM: The pKa of lysine 55 in turkey ovomucoid third domain

Journal of Physical Chemistry B

Volumn 106, Issue 13, 2002, Pages 3486-3494

  Li, Hui ^a   Hains, Alexander W ^a,b   Everts, Joshua E ^a   Robertson, Andrew D ^c   Jensen, Jan H ^a  

^a University of Iowa   (United States)

^b UNIVERSITY OF MASSACHUSETTS   (United States)

^c UNIVERSITY OF IOWA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; IONIZATION; PH EFFECTS; QUANTUM THEORY;

LINEARIZED POISSON-BOLTZMANN EQUATION (LPBE);

PROTEINS;

EID: 84961973524     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp013995w     Document Type: Article

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