Timeline for Can alphafold 2 be used to identify residues important for binding?
Current License: CC BY-SA 4.0
3 events
| when toggle format | what | by | license | comment | |
|---|---|---|---|---|---|
| Apr 4 at 16:27 | comment | added | Maximilian Press | @dthorbur that's a great point. my suggested strategy depends on the accuracy of the pose in the first place, so ideally you'd have several starting points. | |
| Apr 4 at 14:28 | comment | added | dthorbur | All good points. I would add if you are going for a more high-throughput method you can also use metrics like pDockQ, and the self-reported ipTM values to estimate how correct the model has predicted the interaction. From my experience, and especially with smaller molecules, I notice that the orientation of the complex can change quite easily from model to model. My point is that is that if the model is poorly constructed, you might need another strategy. | |
| Apr 4 at 5:13 | history | answered | Maximilian Press | CC BY-SA 4.0 |