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ep 175 with jens carlsson clip 3

AI is changing how we think about structure, function, and discovery

Published on

November 4, 2025

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AI is changing how we think about structure, function, and discovery — but Jens Carlsson reminds us: the real test isn’t whether we can explain today’s data, it’s whether we can predict tomorrow’s results.

 

In this clip, Jens unpacks a mindset shift that every computational scientist should hear. For decades, molecular modeling focused on explaining — rationalizing why a ligand binds, why a mutation shifts signaling, why a simulation behaves a certain way. But explaining is retrospective. Prediction is transformative.

 

With tools like AlphaFold, his lab can now model receptor–peptide complexes in seconds — an achievement that once took months. Yet Jens’s caution stands: prediction must be proven. A good model doesn’t just match published structures; it forecasts new biology, new ligands, and new function.

 

That’s where the future of GPCR research lies — not in describing the past, but in anticipating it.

 

Whether you’re running simulations, screening compounds, or designing next-gen molecules, this insight reframes what “success” in computational pharmacology really means.

 

👉 Watch the full episode: model predict discover 


#GPCR #DrGPCR

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