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Toward more potent imidazopyridine inhibitors of Candida albicans Bdf1: Modeling the role of structural waters in selective ligand binding.

Yingsheng ZhouJustin M. OverhulseNathan J. DupperYanchun GuoBoris A. KashemirovKaiyao WeiJérôme GovinCarlo PetosaCharles E. McKenna
Published in: J. Comput. Chem. (2022)
Keyphrases
  • neural network
  • structural analysis
  • reduced complexity
  • real world
  • computer vision
  • e learning
  • multiscale
  • modeling framework