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Our research group trains pharmacy students in modern computer-assisted methods of molecular drug design. The research is devoted to the development of modeling methods, to database mining for lead structure search, and to the generation of pharmacophore models for the design of new bio-active compounds.

 

NEWS

 

We have contributed a chapter in the newly released 'Applied Chemoinformatics. Achievements and Future Opportunities' book edited by Thomas Engel and Johann Gasteiger:

Chemoinformatics in Natural Products Research

by Teresa Kaserer, Daniela Schuster & Judith M. Rollinger.

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New contribution to the book 'Computational toxicology. Risk assessment for chemicals': both the chapter concerning 'Pharmacophore models for toxicology prediction' as well as the beautiful cover stem from our group. Check it out!

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Welcome to our new PhD student Navista Sri Octa Ujiantari from Indonesia!

 

Welcome to our new Erasmus Exchange student Vicky Moynihan from Scotland!

 

New publication as well as a new successful cooperation with Thomas Hofer:

The Binding Mode of the Sonic Hedgehog Inhibitor Robotnikinin, a Combined Docking and QM/MM MD Study

 

New publication: