aw10279

how to add other ligands that do not require FEP calculations?

1

If there are other ligands in the system that do not require FEP calculations, should their coordinates be included in the protein's pdb file or other file? What command should...

se3-transformer issue when installing

5

when i installed model with "pip install -e . ", i got this error: ERROR: Could not find a version that satisfies the requirement se3-transformer (from rfdiffusion) (from versions: none)...

How to dock ligand into active site with the existence of HEME?

1

Hello, I would like to use DiffDock to generate docking conformations of a ligand in the active site of a P450 enzyme, but there's also a HEME in the active...