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Structural prediction and protein design, once considered impossible problems, are now solvable. Grigoryan explains that the complexity of a protein and its possible states surpasses the number of atoms in the universe. “Those numbers are extremely challenging for any computational tools to deal with,” he said. But he believes a skilled protein biophysicist can examine a particular molecular structure and deduce its potential functions, suggesting there may be learnable general principles in nature—exactly the sort of operation that a “universal prediction engine” such as AI should be able to figure out. Generate:Biomedicines has applied AI to examine and map molecules at the cell level, and Grigoryan sees the potential to extend the same technique to the entire human body. Simulating how the human body will react is orders of magnitude more complicated, but Grigoryan thinks it will be possible. “Once you see it working, it’s hard to imagine it doesn’t just continue,” he said, referring to the power of AI.
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