[gmx-users] Fwd:

saranya saranyahoney17 at gmail.com
Wed Aug 16 09:05:51 CEST 2017

Dear Justin,

Thank you for your kind response.

I have made all the basic analysis and yes there are certain structural
changes that i have expected. But my clarification is as follows.
Initially, there were 6 H-bonds and when it reach around 15ns it is reduced
to 1 or 2. Do the effect of ligand over protein increase/decrease with a
number of hydrogen bonds? Or even a single bond between protein and ligand
is more sufficient to bring necessary changes to a protein?

With Regards,

*Saranya Vasudevan,*

*Research Scholar,*

*Molecular Quantum Mechanics Laboratory,*

*Department of Physics,*

*Bharathiar University,*

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