AI-powered automated ligand design
Automated fragment-based lead optimisation utilising predictive small-world network hotspots.
A new approach to tight-binding ligands
Viper AI enables structural biologists and medicinal chemists to identify new ligand substituents that substantially improve binding affinities without the need to add large, complex chemical groups. Built on DesertSci's proprietary Scorpion technology and developed in collaboration with F. Hoffmann-La Roche, it identifies specific chemical transformations that improve protein-ligand interaction networks and local cooperativity.
Key technical advantages
Three-stage computational pipeline
Pharmacophore search, fragment scan, and full Scorpion scoring run as a seamless automated workflow, with multiple computations executable rapidly from a single initial search.
Advanced scanning engines
Three specialised engines, fragment, atom, and SMIRKS scanning, refine lead development with scientific rigour, ranking all candidate molecules by binding affinity.
Enterprise ecosystem integration
Integrates seamlessly with the Proasis protein structure database and exports results for direct viewing in industry-standard tools including PyMOL and MOE.
If you want to accelerate your ligand design pipeline, contact our experts for a walk-through with Viper AI
