low resolution blind protein-protein docking with a ligand
We're trying to repeat published docking results with Cytochrome C & Human neuroglobin, because we want to compare that to docking a different globin to Cyt C. Low resolution blind docking of the protein only [no heme groups] produces 1000 structures 2-3 days on the linux station we're using. However, the interface region in the published structure includes the space in which the hemes sit, so we think including the hemes will be more accurate. With the help of kind people on this forum, we were able to get to the requisite params files & docking partner syntax.