No no no no no GOD no. A computer model, at best, gives you a lead to start trials. You don't label something an X agonist because the model says so!https://twitter.com/nickpwing/status/960952612551118848 …
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OK, tbf, it’s a transmembrane receptor, so you can’t assay against the purified protein. You have to use live cells, which is a bit of a pain. But it’s an off-the-shelf procedure you can buy in a package: https://assets.thermofisher.com/TFS-Assets/BID/Product-Guides/081-01.03_MOR1-PKA_RAP_LC06963402.pdf … No excuse for not actually doing the experiment.
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