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Structural Articulation of Biochemical Reactions Using Restrained Geometries and Topology Switching.

Swati R. ManjariNilesh K. Banavali
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • experimental data
  • structural information
  • topology preserving
  • machine learning
  • structural constraints
  • multiscale
  • databases
  • data structure
  • search algorithm
  • small world
  • topology preservation
  • chemical reactions