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JeffSHF / ColabDock

Code for ColabDock paper
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antibody-antigen restraints #5

Open ha01994 opened 1 year ago

ha01994 commented 1 year ago

Hello, can you also possibly provide information on how to provide antibody interface restraints as input to the model? Thank you in advance!

JeffSHF commented 1 year ago

Hi, sorry for the late reply. I have added a restraint setting example in the ReadMe.md. I hope this will give some help. For antibody-antigen, if you know the epitope in the antigen or some residues close to the antibody, and want the epitope close to the CDR region in the antibody, you can use the MvN restraints.