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Journal of Computational Chemistry|January 21, 2016
Proton solvation in protic and aprotic solventsEmanuele Rossini, Ernst-Walter KnappJournal of Computational Chemistry|August 19, 2015
pK(A) in proteins solving the Poisson-Boltzmann equation with finite elementsIlkay Sakalli, Ernst-Walter KnappJournal of the American Chemical Society|April 12, 2012
Oxygen-evolving Mn cluster in photosystem II: the protonation pattern and oxidation state in the high-resolution crystal structureArtur Galstyan, Arturo Robertazzi, Ernst Walter KnappJournal of Chemical Information and Modeling|January 10, 2012
Protein secondary structure prediction with SPARROWFrancesco Bettella, Dawid Rasinski, Ernst Walter KnappBiochimica Et Biophysica Acta|July 29, 2014
Reprint of PSII manganese cluster: protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computationsArturo Robertazzi, Artur Galstyan, Ernst Walter KnappThe Journal of Physical Chemistry. B|July 21, 2006
Role of ions on structure and stability of a synthetic gramicidin ion channel in solution. A molecular dynamics studyGiulia Morra, Ulrich Koert, Ernst-Walter KnappJournal of Chemical Information and Modeling|September 5, 2009
Symmetric structures in the universe of protein foldsAysam Guerler, Connie Wang, Ernst-Walter KnappJournal of the American Chemical Society|November 10, 2005
One-electron reduction potential for oxygen- and sulfur-centered organic radicals in protic and aprotic solventsMarcel Schmidt Am Busch, Ernst-Walter KnappGenome Informatics. International Conference on Genome Informatics|June 12, 2008
Conformational entropy of biomolecules: beyond the quasi-harmonic approximationJorge Numata, Michael Wan, Ernst-Walter KnappBiochemistry|April 2, 2003
Redox potential of quinones in photosynthetic reaction centers from Rhodobacter sphaeroides: dependence on protonation of Glu-L212 and Asp-L213Hiroshi Ishikita, Giulia Morra, Ernst-Walter KnappPageof 10