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Journal of Computational Chemistry|January 21, 2016
Proton solvation in protic and aprotic solventsEmanuele Rossini, Ernst-Walter KnappJournal of Chemical Theory and Computation|June 17, 2016
Computing pKa Values in Different Solvents by Electrostatic TransformationEmanuele Rossini, Roland R Netz, Ernst-Walter KnappACS Omega|August 29, 2019
Empirical Conversion of pK a Values between Different Solvents and Interpretation of the Parameters: Application to Water, Acetonitrile, Dimethyl Sulfoxide, and MethanolEmanuele Rossini, Art D Bochevarov, Ernst Walter KnappThe Journal of Physical Chemistry. B|September 27, 2016
Merging Structural Information from X-ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSIIPetko Chernev, Ivelina Zaharieva, Emanuele Rossini, 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 KnappProteins|November 23, 2013
Database of protein complexes with multivalent binding ability: Bival-BindTim Meyer, Ernst-Walter KnappJournal of Chemical Theory and Computation|November 18, 2015
pKa values in proteins determined by electrostatics applied to molecular dynamics trajectoriesTim Meyer, Ernst-Walter KnappPageof 10