Is there a way to keep one cofactor in the protein structure and dock another ligand to it?

[Yang-Wang-2020]

Thank you!

[hofferla]

This is a great question, and I do not think it is possible at the moment
That would be a nice improvement (handling of cofactors, multi-ligands and metallic cations) of the current dynbind approach

[Yang-Wang-2020]

Yes. This improvement will be very cool and make the tool super useful.

[rjrich]

Some protein receptors can accommodate two ligand simultaneously, which in some cases can result in synergistic activation of the receptor. With this in mind, it would be good to be able to dock two ligands simultaneosly or sequentially.