Providing custom discovery services to biotech companies, academic labs, pharma, and startups.
+ VirtualFlow + AdaptiveFlow + Enamine REAL
+ AI/ML + Quantum
Founded in 2020
6+ Years of Molecule Discovery & Optimization
Based in Boston
Spun out of a lab at Harvard Medical School
We harness the power of VirtualFlow to provide virtual screens that traverse vast chemical spaces of over 60 billion molecules. We use advanced techniques in AI and computational chemistry to support the discovery and optimization process.
Services
Target Analysis
Hit Identification
Lead Optimization
Molecular Dynamics (MD) Simulations, Clustering & Markov State Modeling (MSM) to study target dynamics
Ultra-large virtual screens of the REAL Space & Zinc15. As well as small-scale docking and screens of custom libraries
Custom analog library creation using classical methods or generative models, followed by high-accuracy virtual screen
New: SPR Validation Partnership
Virtual Discovery has partnered with BioResonance Solutions, a CRO specializing in SPR, to provide a seamless path from computational hit identification to experimental validation. Early-stage teams can now move from in silico screening and lead optimization directly into high-quality binding validation.
Recognized and Featured By
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