It is currently Wed Jan 16, 2019 6:56 pm

All times are UTC

 Page 1 of 1 [ 2 posts ] 
Author Message
PostPosted: Sat Feb 25, 2012 11:41 am 

Joined: Fri Feb 10, 2012 4:21 pm
Posts: 1
hi admin/moderator i congratulate you about the superb job u doing at the dockingserver this site looks promising for my question is i just did the ligand-protein docking and i cannot understand by the estimated bindin free energy is some 2.02e [img]dock.jpg[/img] i do not get what this means plzz refer to the image attachment also i have a quick suggestion for you plzz i cannot find a manual for results interpretation or en evon how to use this site instead of you answering everybody here at the forum i suppose 70% of these questions could be answered if u put a pdf manual on the web site also since u have an idea about the common problems encountered...maybe iam wrong but this kinda forum discussion is wasting a lot of time i'am in academics doing research in computational biology and this is a huge time waste if i cant interpret the results efficiently...sorry for my language lastly money isn't an issue but then site needs some serious upgrades and features...thanks :D

Kind Regards,
ankit :D

File comment: binding energy screen shot
dok.jpg [ 73.07 KiB | Viewed 7696 times ]
PostPosted: Sun Feb 26, 2012 8:02 pm 

Joined: Wed Oct 29, 2008 2:24 pm
Posts: 209
Hi, this is unfortunatelly a bad result, the estimated free energy of binding should be negative. This problem arises if the selected simulation box is located on an inappropriate place. Please prepare your protein again, using a simulation box that allows your ligand to fit into the site.

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: