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Solution of the protein structure prediction problem at last: crucial innovations and next frontiers.

David A AgardGregory R BowmanWilliam F DeGradoNikolay V DokholyanHuan-Xiang Zhou
Published in: Faculty reviews (2022)
The protein structure prediction problem is solved, at last, thanks in large part to the use of artificial intelligence. The structures predicted by AlphaFold and RoseTTAFold are becoming the requisite starting point for many protein scientists. New frontiers, such as the conformational sampling of intrinsically disordered proteins, are emerging.
Keyphrases
  • artificial intelligence
  • machine learning
  • protein protein
  • amino acid
  • deep learning
  • binding protein
  • molecular dynamics
  • molecular dynamics simulations
  • single molecule
  • mass spectrometry