I would like to ask if somebody could suggest me a pair of ligand-Protein which had been validated and the corresponding resulting drug is already being used commercially.

I am interested in experimenting with this ligand-Protein pair, to reverse engineer the molecular docking procedure using Quantum Computing.

  • 1
    $\begingroup$ How are you planning to use current quantum computer for such task? What algorithms are you planning to use to reverse engineer the molecular docking procedure? $\endgroup$
    – KAJ226
    Apr 2, 2021 at 13:39
  • $\begingroup$ Based on some papers which advocates about using Gaussian Boson Sampling and then QAOA as an algorithm by converting the physical fitment of ligand-Protein to a max-cliq problem. $\endgroup$ Apr 3, 2021 at 11:38
  • $\begingroup$ Thank you so much @KAJ226 $\endgroup$ Jan 29, 2023 at 8:41
  • $\begingroup$ See this answer: mattermodeling.stackexchange.com/q/423/5 $\endgroup$ Nov 6, 2023 at 17:22


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