I agree. If you can’t test the structures against proteins that don’t crystalize, then you can’t really say much about the output.
best experimental protocol evar™ do not steal 👍
If it were me I would try to use the generated structures to make predictions. Perhaps get the model to tell you how many residues of a certain AA are on the protein surface, attach some sort of fluorescent marker to all the surface residues in a physical sample, remove the unattached marker from the solution, and then measure the intensity of the emitted light to estimate how many of those residues are actually on the surface of the structure.
Idk if exactly that would work, but it seems like an easier question to test if a protein is consistent with a generated structure. So perhaps you could tell the biologists that the “ball is in their court” to get them off your back 😃 (if it is biologists of course).
Also, I certainly didn’t mean to imply that you could get the pattern the neural net found out of it. Only that that it has in there somewhere if the net is generalizing.
I agree. If you can’t test the structures against proteins that don’t crystalize, then you can’t really say much about the output.
best experimental protocol evar™ do not steal 👍
If it were me I would try to use the generated structures to make predictions. Perhaps get the model to tell you how many residues of a certain AA are on the protein surface, attach some sort of fluorescent marker to all the surface residues in a physical sample, remove the unattached marker from the solution, and then measure the intensity of the emitted light to estimate how many of those residues are actually on the surface of the structure.
Idk if exactly that would work, but it seems like an easier question to test if a protein is consistent with a generated structure. So perhaps you could tell the biologists that the “ball is in their court” to get them off your back 😃 (if it is biologists of course).
Also, I certainly didn’t mean to imply that you could get the pattern the neural net found out of it. Only that that it has in there somewhere if the net is generalizing.