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An Open Source Graph-Based Weighted Cycle Closure Method for Relative Binding Free Energy Calculations.

Yishui LiRunduo LiuJie LiuHaibin LuoChengkun WuZhe Li
Published in: J. Chem. Inf. Model. (2023)
Keyphrases
  • open source
  • similarity measure
  • objective function
  • free energy
  • neural network
  • dynamic programming
  • probability distribution
  • mutual information
  • segmentation method
  • image matching
  • gaussian distribution