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arslan akram

Binding energy of AgNP is more than silver nitrate which is contrary to wet lab result. How could i explain this?


I have done computational docking of silver nanoparticle and silver nitrate compound with a protein. Binding energy of silver nanoparticle is more i.e. -0.17 kcal/mol as compared to that of silver nitrate (-4.43 kcal/mol) indicating that AgNP is not efficiently binding to the protein which is contrary to the experimentally obtained results. How should i compare or correlate the results of wet and dry lab?

Thanking in advance.

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