It is currently Thu Apr 19, 2018 1:27 pm

All times are UTC




 Page 1 of 1 [ 2 posts ] 
Author Message
 Post subject: Ligand to protein binding comparison
PostPosted: Wed Aug 29, 2012 7:35 am 

Joined: Thu Jul 05, 2012 8:20 am
Posts: 2
Hello everyone,

How can I compare the binding / Inhibition of one ligand docked to several proteins (in different runs)? Is it valid to compare the Kd's from Ligand vs Protein, normalized to the Kd's of the endogenous subtrate to the enzyme?
Does anyone have an idea?

Thank you for your help,
Best, Robert


Offline
 Profile  
 
 Post subject: Re: Ligand to protein binding comparison
PostPosted: Wed Aug 29, 2012 1:35 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 40
Hi Robert,

I think the first thing to compare is the "specificity" of docking.That means how many different results you got for the same docking. A good result is if there are only 1 or 2 dominant hits with high frequence and lowest energy. If you filtered your results based on this than you can compare the energy of the others.

Eszter


Offline
 Profile  
 
Display posts from previous:  Sort by  
 Page 1 of 1 [ 2 posts ] 

All times are UTC


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:  

cron