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Improving the binding affinity estimations of protein-ligand complexes using machine-learning facilitated force field method.

Anjali SoniRuchika BhatBhyravabhotla Jayaram
Published in: J. Comput. Aided Mol. Des. (2020)
Keyphrases
  • machine learning
  • pairwise
  • fully automatic
  • force field
  • computer vision
  • mutual information
  • energy function