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Predicting ligand binding affinity using on- and off-rates for the SAMPL6 SAMPLing challenge.

Tom DixonSamuel D. LotzAlex Dickson
Published in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
  • pairwise
  • random sampling
  • high throughput
  • drug design
  • neural network
  • model selection
  • monte carlo
  • protein protein interactions