[AMBER] - Free energy calculations of protein molecule with two binding sites

From: Patil Pranita Uttamrao <bo19resch01001.iith.ac.in>
Date: Thu, 8 Jul 2021 22:23:52 +0530

Dear Amber community,

                                I am planning to run an MMPB/GBSA analysis
for an AMBER trajectory system. How to calculate overall binding free
energy if our trajectory has a protein molecule with two binding partners
simultaneously? I will kindly appreciate your suggestions.

Thanks and regards,
Pranita 

-- 
Disclaimer:- This footer text is to convey that this email is sent by one 
of the users of IITH. So, do not mark it as SPAM.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 08 2021 - 10:00:02 PDT
Custom Search