Science and Publications

Besides method development (our latest development is the phamacophore modeling and screening platform LigandScout) we try to keep our minds as open as possible and use all kinds of modeling tools and applications to discover novel drug candidates. The most work-intense, but also most important part of our research consists of testing and extensively applying available methods and to provide "best practice guidelines" and performance analysis on how well different approaches work on real-world modeling scenarios.

The list of recent publications below describes our recent work in four areas: Software Development, Best Practice, and Molecular Modeling Sucess Stories (including Activity Profiling and Natural Product Discovery)

Modeling software development:

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Best Practice:

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Molecular Modeling Success Stories

Multi-target predictions

Natural product discovery by molecular modeling

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