June 30, 2026 Eli Lilly
Topos Bio becomes a member of TuneLab, giving access to federated AI models trained on decades of Eli Lilly and Company proprietary ADMET data as well as contributing Topos Bio's own data to train them further
Read MoreTopos Bio: Drug Design for Biology in Motion
AlphaFoldone snapshot
▶ Topos-2generated ensemble
▶ A sequence of Topos-2 ensemble predictions for various proteins across the ordered-to-disordered spectrum.
Proteins are dynamic. We believe drug discovery should begin there. Topos is building an AI-native platform that models protein conformational ensembles - from folded to intrinsically disordered - and their interactions with small molecules. Our goal is to understand, and ultimately shift, the protein dynamics that drive healthy and disease states.
The BioScape - a generative map of the human proteome
A protein’s conformational ensemble - the collection of structures it can adopt - is fundamental to its roles in health and disease.
BioScape brings protein dynamism into view. Powered by Topos-2, BioScape maps conformational ensembles across the human proteome.
Click on any cellular compartment to reveal proteins found there1
Controlling protein dynamics with molecules
Drugs work by modulating protein function. Since protein shape gives rise to function, drug design can be thought of as reshaping the landscape of shapes accessible to the protein.
Topos-Bind models small-molecule interactions with protein ensembles. By bringing binding into the same framework used to predict protein motion, we can ask how drugs might reshape those ensembles to restore healthy protein function.
To our knowledge, this is the first generative model that produces ensembles of disordered proteins bound to small molecules.
Topos-BindGenerated protein + compound + sidechains
▶ A protein interacting with a small molecule predicted using Topos-Bind. Side chains predicted to contact the compound are shown in pink.
Have a protein you'd like us to run?
Tell us which system you're interested in — a UniProt accession, gene symbol, or just a name — and we'll follow up.
Footnotes
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Subcellular location assignments combine Human Protein Atlas subcellular localization data (Thul, P. et al. A subcellular map of the human proteome. Science 356, eaal3321 (2017)) with JensenLab COMPARTMENTS confidence scores (Binder, J. et al. COMPARTMENTS: unification and visualization of protein subcellular localization evidence. Database 2014, bau012 (2014)) as a backfill for genes not covered by HPA. ↩
News
March 17, 2026 PR Newswire
Dalriada and Topos Bio partner to combine advanced mass spectrometry and proteomics with AI-driven computational modeling to accelerate drug discovery for intrinsically disordered proteins
Read More January 8, 2026 Axios
Exclusive: Topos Bio raises $10.5M seed for AI drug discovery
Read More