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Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4.

Ellen E. GuestLuis F. CervantesStephen D. PickettCharles L. Brooks IIIJonathan D. Hirst
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • fixed point
  • free energy
  • maximum likelihood
  • neural network
  • supervised learning
  • sufficient conditions
  • regression model