You are here

Binding energy calculation

4 posts / 0 new
Last post
Binding energy calculation

Binding score is calculated as the total score of complex minus the sum of the scores of unbound two partners, should I repack the side-chain of two partners after seperate the complex, or just score them without repacking?

Post Situation: 
Thu, 2010-12-09 19:29

It's your choice. Repacking is thought to give a more accurate/meaningful number.

Thu, 2010-12-09 19:49

Is there a Rosetta application that can repack side chains? I'd like to do this to calculate binding energy (as described in this question), but since I'm not a Rosetta developer, I'd prefer not to have to write my own application.

Is it possible to use the existing Rosetta applications to repack side chains?


Fri, 2012-04-06 10:51

I will pimp Stevens application, since I have used it a few times now - check it out here:

Fri, 2012-04-06 13:20