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How Well Does the Extended Linear Interaction Energy Method Perform in Accurate Binding Free Energy Calculations?

Dongxiao HaoXibing HeBeihong JiShengli ZhangJunmei Wang
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • closed form
  • similarity measure
  • pairwise
  • segmentation method
  • prior knowledge
  • dynamic programming
  • probability distribution
  • sufficient conditions
  • generative model
  • unsupervised learning
  • parameter space
  • free energy