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Journal of Computational Chemistry|October 21, 2014
Computing pK(A) values of hexa-aqua transition metal complexesGegham Galstyan, Ernst-Walter KnappThe Journal of Physical Chemistry. A|June 1, 2012
Computations of 36 tautomer/isomer equilibria of different lactamsGegham Galstyan, Ernst-Walter KnappBiochimica Et Biophysica Acta|August 24, 2014
Lysine 362 in cytochrome c oxidase regulates opening of the K-channel via changes in pKA and conformationAnna Lena Woelke, Gegham Galstyan, Ernst-Walter KnappBiophysical Journal|November 25, 2014
Proton transfer in the K-channel analog of B-type Cytochrome c oxidase from Thermus thermophilusAnna Lena Woelke, Anke Wagner, Gegham Galstyan, et al.The Journal of Physical Chemistry. B|September 20, 2013
Exploring the possible role of Glu286 in CcO by electrostatic energy computations combined with molecular dynamicsAnna Lena Woelke, Gegham Galstyan, Artur Galstyan, et al.The Journal of Physical Chemistry. B|December 6, 2013
Understanding selectin counter-receptor binding from electrostatic energy computations and experimental binding studiesAnna Lena Woelke, Christian Kuehne, Tim Meyer, et al.Journal of the American Chemical Society|June 24, 2004
Variation of Ser-L223 hydrogen bonding with the QB redox state in reaction centers from Rhodobacter sphaeroidesHiroshi Ishikita, Ernst-Walter KnappJournal of Computational Chemistry|June 13, 2008
Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes*Artur Galstyan, Ernst-Walter KnappFEBS Letters|July 29, 2006
Electrostatic role of the non-heme iron complex in bacterial photosynthetic reaction centerHiroshi Ishikita, Ernst-Walter KnappJournal of the American Chemical Society|October 20, 2005
Control of quinone redox potentials in photosystem II: Electron transfer and photoprotectionHiroshi Ishikita, Ernst-Walter KnappPageof 10