Sir,
I want to make a doubt clear
MMPBSA:
delta G = PBtotal - TdeltaS
= (-23.20) - (-20.89) = -2.31
Is this the correct way. I got both values with negative sign.
I asked because, in a paper,
PBtotal= -453
TdeltaS= 17
deltaG= -436 : a protein ligand system
Thanking you
Mary Varughese
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Received on Mon Apr 21 2014 - 22:30:02 PDT
