search

PKUGaoGroup / DSDPFlex

DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
GNU Affero General Public License v3.0
13 stars 3 forks source link

DSDPFlex support multiple ligands in the same docking? #3

Open 2484845760 opened 1 week ago

2484845760 commented 1 week ago

I want to perform multi-ligand docking on my receptor protein, and its mechanism of action requires that ligands enter the protein pocket cooperatively. Can DSDPFlex support this?

HCAya commented 6 days ago

Hi! Currently, DSDPFlex does not support this. It may be considered a future function.

2484845760 commented 5 days ago

I am really looking forward to the arrival of this function.