Reconsidering this molecule I have to say that the proposed binding mode (not included in the original submission) might be underpopulated in solution, there may be other poses more energetically favorable but this recently occured to me.
Reconsidering this molecule I have to say that the proposed binding mode (not included in the original submission) might be underpopulated in solution, there may be other poses more energetically favorable but this recently occured to me.