I’m not a comp bio expert, but the core of @johnswentworth’s argument seems to be that “protein shape tells us very little about [protein reactions] without extensive additional simulation”, and “the simulation is expensive in much the same way as the folding problem itself.”
Both true as far as I understand, but that doesn’t mean those problems are intractable, any more than protein folding itself was intractable.
So I think you can argue “this doesn’t immediately lead to massive practical applications, there are more hard problems to solve”, but not “this isn’t a big deal and doesn’t really matter” in the long run.
I agree with this answer—it is still likely to be a useful component in a simulation pipeline in the long run, but it’s probably not going to revolutionize things as a standalone tool in the short run.
I’m not a comp bio expert, but the core of @johnswentworth’s argument seems to be that “protein shape tells us very little about [protein reactions] without extensive additional simulation”, and “the simulation is expensive in much the same way as the folding problem itself.”
Both true as far as I understand, but that doesn’t mean those problems are intractable, any more than protein folding itself was intractable.
So I think you can argue “this doesn’t immediately lead to massive practical applications, there are more hard problems to solve”, but not “this isn’t a big deal and doesn’t really matter” in the long run.
I agree with this answer—it is still likely to be a useful component in a simulation pipeline in the long run, but it’s probably not going to revolutionize things as a standalone tool in the short run.