Dear all, I am trying to dock two proteins that transiently interact using intermolecular restraints in the form of PCS (using the RDC potential in the python module) and PRE.
The restraints are scaled by the population of the complex which is small but we think we have a specific interaction. The dominant species in solution is the free protein which does not give rise to PRE or PCS. I would like to try to deal with this by using an ensemble approach to optimize the population of the two species and model the complex during refinement. Can anyone point me to a good starting example script to use with python modules? Any advice on the best way to approach this would be greatly appreciated. Thank you for your help. Best, Taylor -- Taylor R. Cole Graduate Student Dr. Tatyana Igumenova Lab Biochemistry & Biophysics Texas A&M University [email protected] (979)845-6313
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