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by saadalem 2267 days ago
I was able to create several small molecule candidates which achieved docking scores of almost -18 but they still need to be assessed for their synthetic feasibility. (Docking scores of leading existing drugs (HIV inhibitors) are around -10 to -11 (the more negative the score the better), Remdesivir drug is around -13 which already entered clinical testing.

I know that binding affinity has been shown not to be the best indicator of efficacy always, but I want to know if it's feasible, if someone can help

1 comments

Are you a chemist?