The Nobel Prize in Chemistry: past, present, and future of AI in biology

The work by Hassabis and Jumper on protein structure prediction together with Baker's supremacy in de novo protein design set the stage for a future where AI not only deciphers biology at the atomic level but also designs new molecules for biotechnology, medicine, and beyond. I provide an overview of the recent past, the present, and the future of AI in structural biology, from how it all started with the Critical Assessment of Structure Prediction (CASP) experiments and a protein engineering lab, to how the field could further evolve with AI models that eventually "understand" biology holistically. A Comment on the transformative progress of artificial intelligence for structural and protein biology, referencing the 2024 Nobel Prize in Chemistry.

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The Nobel Prize in Chemistry: past, present, and future of AI in biology

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Directly optimizing for synthesizability in generative molecular design using retrosynthesis models

The conformational plasticity of structurally unrelated lipid transport proteins correlates with their mode of action