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Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks.

Gregory SchwingLuigi Leonardo PaleseAriel FernándezLoren SchwiebertDomenico L. Gatti
Published in: CoRR (2022)
Keyphrases
  • molecular dynamics
  • protein folding
  • neural network
  • amino acids
  • protein structure
  • molecular dynamics simulations
  • protein sequences
  • secondary structure
  • image sequences
  • database
  • digital libraries
  • query processing