VMD-L Mailing List
From: Recep adżyaman (radiyaman_at_nku.edu.tr)
Date: Tue Apr 15 2014 - 03:49:01 CDT
Dear VMD users,
We are doing mutations in metal binding proteins. We would like to compare
binding affinites before and after the mutations.
Can I use VMD to predict the folding after mutation? I did some search but
couldn't be sure.
Also, is it possible to calculate stability (in kcal/mol) of a given
We are planning to scan many mutations so how can I do all these
calculations in batch (scripting maybe?).
When a mutant is folding, do VMD keep the backbone stable? (Like FoldX's
repairpdb function). If a metal bound protein is folded, do the software
reposition the metal ion accordingly?
Researcher Recep ADIYAMAN
Namik Kemal University
Distance Education Center