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The Journal of Physical Chemistry. B|August 24, 2021
Beating Heart of Cytochrome c Oxidase: The Shared Proton of Heme a3 PropionatesJovan Dragelj, Maria Andrea Mroginski, 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 KnappProteins|February 20, 2015
Optimized distance-dependent atom-pair-based potential DOOP for protein structure predictionMyong-Ho Chae, Florian Krull, Ernst-Walter KnappGenome Informatics. International Conference on Genome Informatics|February 16, 2005
Peptide binding at class I major histocompatibility complex scored with linear functions and support vector machinesHenning Riedesel, Björn Kolbeck, Oliver Schmetzer, et al.Genome Informatics. International Conference on Genome Informatics|May 9, 2009
Sampling geometries of protein-protein complexesAysam Guerler, Stephan Lorenzen, Florian Krull, et al.Biophysical Journal|January 25, 2002
Protonation and stability of the globular domain of influenza virus hemagglutininQiang Huang, Robert Opitz, Ernst-Walter Knapp, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|April 22, 2005
Computational studies on imidazole heme conformationsArtur S Galstyan, Snezana D Zarić, Ernst-Walter KnappJournal of Chemical Theory and Computation|December 1, 2015
Merging Implicit with Explicit Solvent Simulations: Polyethylene GlycolAlok Juneja, Jorge Numata, Lennart Nilsson, et al.Proteins|January 30, 2010
Circular permuted proteins in the universe of protein foldsTobias Schmidt-Goenner, Aysam Guerler, Bjoern Kolbeck, et al.Journal of Computer-Aided Molecular Design|November 22, 2011
DemQSAR: predicting human volume of distribution and clearance of drugsOzgur Demir-Kavuk, Jörg Bentzien, Ingo Muegge, et al.Pageof 10