[AMBER] Can I use bfactor (rmsf) to conclude if the protein is stabilized upon drug binding?

From: Catein Catherine <askamber23.hotmail.com>
Date: Wed, 5 Jan 2011 00:26:21 +0800

Dear Sir/Madam,
Can I compare if the protein is stabilized upon drug binding by comparing the b-factor of the protein and protein-drug complexes of two trajectories?
If it is not an approiate way of doing this, what is the approach should be used?
Can thermodynamics integration helps?
Best regards,
PS. Thank you Ilyas.
AMBER mailing list
Received on Tue Jan 04 2011 - 08:30:02 PST
Custom Search