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Shape-Restrained Modeling of Protein-Small-Molecule Complexes with High Ambiguity Driven DOCKing.

Panagiotis I. KoukosManon RéauAlexandre M. J. J. Bonvin
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • shape modeling
  • shape descriptors
  • protein sequences
  • small size
  • wide range
  • shape analysis
  • drug discovery
  • amino acids
  • data driven
  • model driven
  • protein structure prediction