[AMBER] Relation between binding affinity and free enegy

From: Sangita Kachhap <sangita.imtech.res.in>
Date: Tue, 29 Mar 2016 00:25:34 +0530

 

Dear All
 I am working on understsnding the mechanism of protein-DNA ternary
complex formation. One protein has more banding affinity (kd value) to
target DNA than second protein. When I was calculating the free energy
of binding of indivisual protein to target DNA, protein having less
affinity to target DNA showing more negative binding free energy than
protein having more affinity but showing less negative binding free
energy.
I want to know that, is it correct way to relate kd value with MMPBSA
calculated binding free energy?

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Sangita Kachhap
Senior Research Fellow
C/O Dr. Balvinder Singh
Bioinformatics centre
CSIR-Institute of Microbial Technology
Chandigarh, Sector-39A, INDIA
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Received on Mon Mar 28 2016 - 12:30:03 PDT
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