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16th Edition (2004)
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Molecular modeling helps to optimize active ingredients
Hunting molecules in 3D
Virtual chemistry: Bayer researchers Dr. Kai Thede, Dr. Alex Jensen, Dr. Peter Nell and Dr. Alexander Hillisch (left to right) view the projection of a three-dimensional protein structure on the wall of their 3D room wearing special glasses.
The search for active substances for new medicines is a constant process of selection. Researchers need to identify the most effective compounds among millions of possible substances. Molecular modeling provides them with an effective tool in this search.
Designing molecules with virtual chemistry
In the Computational Chemistry department, researchers in the Pharmaceuticals Division of Bayer HealthCare design molecules on-screen and model them until they fit their target protein perfectly. This gives chemists in other departments valuable information on ways of finding and optimizing new substances. Read the article (PDF file) below to see how synthetic and computational chemistry interact in practice, and read an interview with Tim Clark, editor of the Journal of Molecular Modeling.
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