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Microsoft's BioEmu AI to advance drug discovery, says Satya Nadella
11 Jul 2025, 08:26 PMBioEmu-1's ability to simulate structural ensembles, the different shapes a protein can take, marks a major milestone in protein science.
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Microsoft CEO Satya Nadella has announced the launch of a new AI system called BioEmu-1 ((Biomolecular Emulator-1), designed to transform the way researchers understand protein behaviour and accelerate the development of new drugs.
In a post on social platform X, Nadella emphasized the importance of decoding protein motion for advancing biological research and pharmaceutical innovation.
"Understanding protein motion is essential to understanding biology and advancing drug discovery. Today we’re introducing BioEmu, an AI system that emulates the structural ensembles proteins adopt, delivering insights in hours that would otherwise require years of simulation," Nadella said.
Traditional approaches to studying protein structures often require years of computational work. However, BioEmu-1 can achieve similar results within hours. BioEmu-1 can simulate thousands of protein structures per hour using just a single GPU.
The AI model leverages over 200 milliseconds of molecular dynamics (MD) simulations, static protein structures, and experimental stability data. Through innovative training methods, BioEmu captures a wide range of molecular motions from hidden pocket formations to structural shifts, and predicts free energy changes with high accuracy.
Published in the journal Science, a research paper by Microsoft's AI for Science team explains how BioEmu blends structural and thermodynamic modeling to deliver mechanistic insights at scale. This makes the tool not only a scientific breakthrough but also a cost-effective alternative to traditional methods.
BioEmu-1's ability to simulate structural ensembles -- the different shapes a protein can take -- marks a major milestone in protein science. It opens up new possibilities for designing more precise and effective therapies, bringing us one step closer to AI-driven drug discovery.
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