Uni-Logo THOMAS E. EXNER   Zukunftskolleg
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Fachbereich Chemie
     
- RESEARCH -



Quantum Chemistry of Large Systems
Adjustable Density Matrix Assembler
•Border-Region Treatment in QM/MM
•NMR Chemical Shift Calculation
Molecular Recognition - Docking
PLANTS
•Docking with NMR-Constraints
SPORES
Ligand-Based Design: pharmACOphore
Structure Prediction Based on NMR-Constraints
Molecular Dynamics
•DNA Polymerases
•DNA Quadruplexes
•Coiled-Coils
 
thomas.exner@uni-konstanz.de last update: Mar 20, 2012