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An Interpretable Convolutional Neural Network Framework for Analyzing Molecular Dynamics Trajectories: a Case Study on Functional States for G-Protein-Coupled Receptors.

Chuan LiJiangting LiuJianfang ChenYuan YuanJin YuQiaolin GouYanzhi GuoXuemei Pu
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • molecular dynamics
  • convolutional neural network
  • database
  • database systems
  • object recognition
  • motion estimation
  • fault tolerant
  • protein sequences