Multimer Tutorial

You may use homology modeling to create one subunit of a molecule you is part of a complex with higher symmetry. We have a special mode in our docking where we limit the rotations sampled by our docking algorithm to 9994 rotations that satisfy either C-2 or C-3 symmetry for dimers and trimers respectively.

  1. Multimer docking is special in that the receptor and ligand are the same molecule. Therefore you only need to fill in the information for your molecule in the receptor field. Similarly, if you are specifying information such as attraction and repulsion, you only need to specify this information for the receptor.
  2. To turn on multimer docking mode, you will need to click on "Advanced Options" and then "Multimer Docking". You can then enter either 2 or 3 subunits for either a dimer or trimer.

If you have any questions, please look to see if it is addressed on the help page. If you have any suggestions, please contact us.

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Vajda Lab and ABC Group
Boston University and Stony Brook University