A.I. Predicts the Shapes of Molecules to Come

a i predicts the shapes of molecules to come

Sumary of A.I. Predicts the Shapes of Molecules to Come:

  • So last fall, after reading that an artificial intelligence lab in London called DeepMind had built a system that automatically predicts the shapes of enzymes and other proteins, Dr. McGeehan asked the lab if it could help with his project.
  • On Thursday, DeepMind released the predicted shapes of more than 350,000 proteins — the microscopic mechanisms that drive the behavior of bacteria, viruses, the human body and all other living things.
  • This new database includes the three-dimensional structures for all proteins expressed by the human genome, as well as those for proteins that appear in 20 other organisms, including the mouse, the fruit fly and the E.
  • ”This new knowledge is its own sort of key: If scientists can determine the shape of a protein, they can determine how other molecules will bind to it.
  • Bacteria resist antibiotics by expressing certain proteins;
  • if scientists were able to identify the shapes of these proteins, they could develop new antibiotics or new medicines that suppress them.
  • In the past, pinpointing the shape of a protein required months, years or even decades of trial-and-error experiments involving X-rays, microscopes and other tools on the lab bench.
  • He later learned that AlphaFold had in fact completed the task in just a few hours.

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