What are the optimal parameters for docking a large ligand using Hex? I'm looking to dock a large ligand (~90kDa) to a receptor slightly larger receptor  (~125kDa) using Hex. If anyone is familiar with docking large structures, are there any recommended parameters for finding the best docking solution?

Parameters in particular:


Number of Solutions  
N order of correlation for initial and final
searches 
Receptor Range 
Ligand Range
While I have no experience with this specific question you have, according to Feinstein &amp; Brylinski (2015), a "fully automated procedure", i.e. a Perl script, can be used to optimize the box size itself, and it can be found here.