3 ms·
So it's a really good start, but nobody is going to be throwing these structures into molecular docking simulations for drug discovery or etc just yet. But hope
by jey 6y ago
So it's a really good start, but nobody is going to be throwing these structures into molecular docking simulations for drug discovery or etc just yet. But hopefully those details can be worked out soon enough.
- timr 6y agoYeah, there's a huge difference between a 1Å all-atom RMSD structure, and a 1Å backbone RMSD structure. The non-backbone atoms in a protein make up most of the mass and volume. When structural biologists talk about RMSD, this is what they mean.