Redefining druggable space with AI-driven protein modeling.

San Francisco
Joined December 2024
Today we are announcing Topos-2, our next-generation model for generating the full range of shapes a protein can take, across the order-disorder spectrum. We are also previewing Topos-Bind: to our knowledge, the first generative model to capture the range of shapes for disordered proteins bound to small molecules. Read the technical blog post here: toposbio.ai/topos-2-topos-bi… (1/7)
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Public databases do not provide disordered protein-ligand training data at scale, so we built Topos-DB: 100,000+ disordered protein-ligand systems simulated with all-atom MD. To our knowledge, this is the largest all-atom protein MD dataset by distinct system count, roughly 3x the next largest. (6/7)
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The therapeutic opportunity lies in understanding, and ultimately controlling, the full distribution of conformations a protein can adopt. If your program is limited by protein dynamics, we want to work with you: [email protected] (7/7)
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At Gladstone, collaboration fuels discovery. Our partnership with @ToposBio brings together AI-powered protein modeling and deep expertise in neurodegenerative disease to explore new therapeutic options for conditions like Parkinson’s and Alzheimer’s. bit.ly/4sAewjD
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Announcing Topos-1, an all-atom generative model that sets a new benchmark for predicting structural ensembles of intrinsically disordered proteins. Topos-1 outperforms existing models by a large margin, with implications for designing drugs for challenging targets ranging from cancer to neurodegenerative disease. Read the full technical report on our website: toposbio.ai/tech-report
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Powered by @Modal compute; shout out to @charles_irl Excited to contribute to #DrugDesign #AI #Biology
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Using Topos-1, we generated conformational ensembles that provided drug design insight and lead to computational predictions of drug potency that are in good agreement with tests performed in our laboratory.
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Topos-1 is only the beginning: we’re rapidly expanding its capabilities and the favorable scaling results so far indicate a steep improvement curve. To learn more about the model and its evals, check out our technical report: toposbio.ai/tech-report
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