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The computational chemistry activities comprise cheminformatics, molecular modeling, and to some extent theoretical chemistry and quantum mechanical calculations. With these methods, the research group investigates molecular structures (natural products; 3D protein structures), their interactions and reaction mechanisms (e.g. of enzyme catalysis), and physicochemical properties. New bio- and cheminformatics tools for the evaluation of spectroscopic, structural and biological data are developed in cooperation with other departments and external partners.

This page was last modified on 28.02.2017.

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