Dr.-Ing. Thomas E. Exner

Profile

Academic position	Lecturer, Assistant Professor, Researcher
Research fields	Theoretical Chemistry: Electron Structure, Dynamics, Simulation
Keywords	a) protein-ligand docking, b) quantum mechanics of large systems, c) molecular dynamics simulations, d) molecular visualization

Current contact address

Country	Germany
City	Konstanz
Institution	Universität Konstanz
Institute	Fachbereich Chemie

Host during sponsorship

Dr. Leslie Carl Dickson	Toxicology Research Center, University of Saskatchewan, Saskatoon
Prof. Dr. Paul G. Mezey	Department of Chemistry - Computational, Theoretical & Mathematical Chemistry, University of Saskatchewan, Saskatoon
Start of initial sponsorship	01/04/2001

Programme(s)

2001	Feodor Lynen Research Fellowship Programme

Publications (partial selection)

2002	Thomas E. Exner, Paul G. Mezey: Ab Initio Quality Electrostatic Potentials of Proteins: An Application of the ADMA Approach. . In: J.Phys.Chem. A, 2002, 11791-11800
2002	Thomas E. Exner, Paul G. Mezey: Comparison of Nonlinear Transformation Methods for Electron Density Approximation.. In: J.Phys.Chem. A, 2002, 5504-5509
2002	Thomas E. Exner, Matthias Keil, Jürgen Brickmann: Pattern Recognition Strategies for Molecular Surfaces. I. Pattern Generation Using Fuzzy Set Theory. . In: J.Comp.Chem. , 2002, 1176-1187
2002	Thomas E. Exner, Matthias Keil, Jürgen Brickmann: Pattern Recognition Strategies for Molecular Surfaces. II. Surface Complementarity. . In: J.Comp.Chem., 2002, 1188-1197
2001	Thomas E. Exner and J. Brinkmann: The Indentification of Complementarity of Molecular Surfaces Using Fuzzy Set Theory. In: J. Mol. Model., 2001, 370-373