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 |