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.