The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Sun Apr 23, 2017 9:36 pm

All times are UTC




Post new topic Reply to topic  [ 1 post ] 
Author Message
PostPosted: Thu Jun 30, 2016 10:05 am 
Offline
Micromolar User
Micromolar User
User avatar

Joined: Tue Oct 05, 2010 8:48 pm
Posts: 10
Hi everyone

I have docked the same ligand in the same protein but in one case I did it with the natural ligand in its pocket and in the other case without it. The idea was to check if the ligand was able to join to the receptor interacting with the natural ligand too. So, my question I think is rather conceptual:

Can I compare the Energy/Score of the Ligand docked in these both situations?
As I see, the energy coming from (Protein1_Ligand_Joined - Protein1_Ligand_NO_Joined) it would be different from (Protein2_Ligand_Joined - Protein2_Ligand_NO_Joined) and in this way It would not be comparable.

Thank you for your help


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 1 post ] 

All times are UTC


Who is online

Users browsing this forum: No registered users and 1 guest


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr