fragment-based drug design

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ReCore

ReCore replaces user-defined central elements of known bioactive molecules to generate novel scaffolds in 3D within a blink of an eye. The software is the outcome of a joint collaboration with Hoffmann-La Roche and is now finally available to all users.

FTrees-FS

Compounds created from CoLibri's fragment spaces can be searched in minutes using FTrees-FS, a ligand-based alignment and similarity search engine.

white paper

Exploiting MedChem in Virtual Screening

KnowledgeSpace

82 synthesis protocols for 12 billion compounds for relevant targets

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