Model Calculations of Protein-Water Systems anf of Long time Dynamics of Proteins. - Ingo Muegge; A. Irgens-Defregger; Ernst-Walter Knapp (Informatik in den Biowissenschaften, 1993)

Off-lattice Monte Carlo method with constraints: Long-time dynamics of a protein model without nonbonded interactions. - Ernst-Walter Knapp; A. Irgens-Defregger (J. Comput. Chem., 1993)

Connectivity independent protein-structure alignment: a hierarchical approach. - Björn Kolbeck; Patrick May; Tobias Schmidt-Goenner; Thomas Steinke 001; Ernst-Walter Knapp (BMC Bioinform., 2006)

Improved pKa prediction: Combining empirical and semimicroscopic methods. - Gernot Kieseritzky; Ernst-Walter Knapp (J. Comput. Chem., 2008)

Superimposé: a 3D structural superposition server. - Raphael A. Bauer; Philip E. Bourne; Arno Formella; Cornelius Frömmel; Christoph Gille; Andrean Goede; Aysam Guerler; Andreas Hoppe; Ernst-Walter Knapp; Thorsten Pöschel; Burghardt Wittig; Valentin Ziegler; et al. (Nucleic Acids Res., 2008)

Accurate redox potentials of mononuclear iron, manganese, and nickel model complexes. - Artur Galstyan; Ernst-Walter Knapp (J. Comput. Chem., 2009)

Symmetric Structures in the Universe of Protein Folds. - Aysam Guerler; Connie Wang; Ernst-Walter Knapp (J. Chem. Inf. Model., 2009)

Exploring classification strategies with the CoEPrA 2006 contest. - Ozgur Demir-Kavuk; Henning Riedesel; Ernst-Walter Knapp (Bioinform., 2010)

GIS: a comprehensive source for protein structure similarities. - Aysam Guerler; Ernst-Walter Knapp (Nucleic Acids Res., 2010)

Prediction using step-wise L1, L2 regularization and feature selection for small data sets with large number of features. - Ozgur Demir-Kavuk; Mayumi Kamada; Tatsuya Akutsu; Ernst-Walter Knapp (BMC Bioinform., 2011)

DemQSAR: predicting human volume of distribution and clearance of drugs. - Ozgur Demir-Kavuk; Jörg Bentzien; Ingo Muegge; Ernst-Walter Knapp (J. Comput. Aided Mol. Des., 2011)

Protein Secondary Structure Prediction with SPARROW. - Francesco Bettella; Dawid Rasinski; Ernst-Walter Knapp (J. Chem. Inf. Model., 2012)

Protein Secondary Structure Classification Revisited: Processing DSSP Information with PSSC. - Jan Zacharias; Ernst-Walter Knapp (J. Chem. Inf. Model., 2014)

Computing pKA values of hexa-aqua transition metal complexes. - Gegham Galstyan; Ernst-Walter Knapp (J. Comput. Chem., 2015)

pKA in proteins solving the Poisson-Boltzmann equation with finite elements. - Ilkay Sakalli; Ernst-Walter Knapp (J. Comput. Chem., 2015)

ProPairs: A Data Set for Protein-Protein Docking. - Florian Krull; Gerrit Korff; Nadia Elghobashi-Meinhardt; Ernst-Walter Knapp (J. Chem. Inf. Model., 2015)

Proton solvation in protic and aprotic solvents. - Emanuele Rossini; Ernst-Walter Knapp (J. Comput. Chem., 2016)

Erratum: Proton solvation in protic and aprotic solvents [J. Comput. Chem. 37, 2015 1082-1091]. - Emanuele Rossini; Ernst-Walter Knapp (J. Comput. Chem., 2016)