we have tested the anti-microbial activity of 8 compounds. The best among them in the invitro results ( better antimicrobial activity doesn't show good binding energy ( -2.4 less favored) however its interaction is strong making 10 H bonds in the active site. While other compounds that showed less antimicrobial activity in vitro showed better binding energy (-8 , -7.5 etc..)
What do you suggest... to ignore the binding energy and focus with number, type and strenght of interactions ?
Mohamad Taha Abdelrahman
Thanks for your answer. I used the crystal structure. so I see you also agree with giving the interactions a priority over the energy because it is in agreement with the wet results.
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