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CHEOPS currently serves the following fields of research:

Protein Modeling: all tasks dealing with protein structures from x-ray or NMR sources or homology, spanning from structure preparation and structure validation as prerequisites for active site modelling to the design of novel drugs.

Homogeneous Catalysis: development of a fast and widely applicable model of the transition state structures determining the stereoselectivity of metal catalyzed reactions.

Ensemble Properties: computation of macroscopic properties of substances by means of molecular dynamics simulations.

Extension to Methods: extending and developing computational methods, automated procedures, as well as force field parameter sets and visualization techniques.

CHEOPS solves current problems and develops the basis for future solutions.


© 2004 CHEOPS Molecular Modeling
PD Dr. Udo Höweler