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Computational Prediction of Mutational Effects on SARS-CoV-2 Binding by Relative Free Energy Calculations.

Junjie ZouJian YinLei FangMingjun YangTianyuan WangWeikun WuMichael A. BellucciPeiyu Zhang
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • free energy
  • belief propagation
  • fixed point
  • competitive learning
  • graphical models
  • neural network
  • high resolution
  • message passing
  • posterior distribution