Computational Chemistry Prize To Rarey And Schomburg

Matthias Rarey, managing director of the Center for Bioinformatics at Hamburg University, in Germany, and Karen Schomburg, a Ph.D. candidate in Rarey’s research group, were awarded the ACS Division of Computers in Chemistry’s Emerging Technologies in Computational Chemistry Prize. Rarey presented their research on a simple visualization technique for complicated chemical substructures during the ACS national meeting in Denver in August.

At the Center for Bioinformatics, Rarey is developing new algorithms for problems occurring in molecular design. For example, he developed the molecular docking software package FlexX, which is among the most widely used codes for virtual screening.

Schomburg’s research is on inverse virtual screening, which is a computational technique used, for example, to help spot potential drug side effects.