11
$\begingroup$

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
$\endgroup$
0
1
$\begingroup$

While I have no experience with this specific question you have, according to Feinstein & 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.

$\endgroup$
0

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.