Prediction in Biomolecular Systems as Classification or Linear Regression Problem
Ernst-Walter Knapp is since 1991 professor for macromolecular modelling in the Institute of Chemistry and Biochemistry of the Freie Universität Berlin. He received his PhD in physics in 1976. He worked as a post-doc with Prof. Diestler at Purdue University, the late Prof. Schulten at the Max-Planck Institute of Biophysical Chemistry in Göttingen, and Prof. Fischer at the Physics Department of the Technical University of Munich, where he habilitated in Theoretical Physics in 1985 and became subsequently a Heisenberg fellow. Early scientific work dealt with theories of electron-atom and atom-molecule scattering, vibrational spectra of molecules in the condensed phase, Mössbauer spectra, protein dynamics and protein folding. Currently his scientific interests are in quantum chemistry and electrostatics of transition metal complexes, protein electrostatics, protein-protein docking, protein structure analysis and drug classification and design. He was director of the institute of chemistry and Biochemistry of the Freie Universität Berlin. He published more than 180 papers in peer-reviewed scientific journals.