On March 3rd Science published the article "A nontoxic pain killer designed by modeling of pathological receptor conformations" (Science, 355(6328):966-969, March 2017). It is about the application of a ZIB method for designing a drug candidate for pain therapy. Four members of the Computational Molecular Design group of Marcus Weber at ZIB provided the corresponding computational results. Eight researchers from the group of Christoph Stein at Charité successfully tested the designed drug candidate in animal experiments. Our computational molecular design approach and the successful in-vitro and in-vivo testings are the central topics of the publication.
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