[BIOVIA] Computational Chemist

User Experience Value

In Discovery Studio Simulation, pharmacophore ligand databases can be shared with other users for fast database searching and collaborative project work in teams. In several protocols, users can calculate a Retro Synthesis Analysis (RSA) score which is an estimate of synthesize-ability complexity for molecules. Users can easily design protein binders that optimize interactions with a target protein. In Molecular Design, users can see pharmacophore mapping properties in the property table for small molecule ligands, and make complex selections of molecular objects.

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What's New Video

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Design protein binders to optimize interactions with hotspot residues

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Make controlled and precise selections of atoms and residues

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Retro Synthesis Analysis (RSA) score is available in a number of protocols