ProjectsCHEOPS 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