CCL: binding of ligand on protein in water box
- From: sadia zafar <diya.khan.05(0)gmail.com>
- Subject: CCL: binding of ligand on protein in water box
- Date: Wed, 23 Feb 2011 22:02:00 +0500
Respected Sir!
I want to add a ligand molecule (sugar chain) on my
protein. I have been searching for its procedure in the archive of the NAMD
mailing lists and also on the web but could not find methodology.
Can you please guide me that how I can perform protein-ligand
simulation?
Secondly is it better to take a start by initially
adding the ligand to the protein structure i.e. making a protein-ligand complex
and then running simulations on it or should I do simulation of the protein
alone and then do the addition of ligand molecule?
Thanks.