CCL: Docking simulations with a salt bridge
- From: "Werner K"
<werner.schroedinger%%googlemail.com>
- Subject: CCL: Docking simulations with a salt bridge
- Date: Thu, 12 Nov 2009 06:01:46 -0500
Sent to CCL by: "Werner K" [werner.schroedinger++googlemail.com]
Hi,
there is a receptor, which has a salt bridge. When a ligand interacts with it,
and breaks the salt bridge, the receptor is activated in another part of the
molecule.
I wonder what simulation-approach/software/ideas would you recommend to use that
can deal with docking ligands and breaking salt bridges.
Thanks
WS