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In silico evolution of protein binders with deep learning models for structure prediction and sequence design.

Odessa J GoudyAmrita NallathambiTomoaki KinjoNicholas Z RandolphBrian Kuhlman
Published in: bioRxiv : the preprint server for biology (2023)
Protein-protein interactions are critical to most processes in biology, and improved methods for designing protein binders will enable the creation of new research reagents, diagnostics, and therapeutics. In this study, we show that a deep learning-based method for protein design can create high-affinity protein binders without the need for extensive screening or affinity maturation.
Keyphrases
  • deep learning
  • protein protein
  • amino acid
  • binding protein
  • artificial intelligence
  • machine learning
  • small molecule
  • convolutional neural network
  • molecular dynamics simulations