Major Research Areas
The main reasearch topic of the working group AMD is the development of new methods in the fields chemoinformatics and computer-based drug design as well as their practical application.
Structure-based Design |
|
Development and application of computer-based methods for the design of bioactive compounds on the basis of macromolecular structures; virtual screening and de novo Design. | |
Cheminformatics |
|
Computer-based methods for the insertion, administraion, manipulation and output of chemical information; calculation of chemical properties; query of molecules on the basis of properties, chemical patterns und molecular similarity. |
|
Molecular Visualization |
|
Visualization of chemical information, especially structures with a focus on the weighting between simple perception and wealth of information; interactivity and intuitive navigation in large chemical data sets. |