Fig. 5: GaMD simulations and QM/MM calculations on the tweezers–Survivin interaction provide deeper insights into the binding event. | Nature Communications

Fig. 5: GaMD simulations and QM/MM calculations on the tweezers–Survivin interaction provide deeper insights into the binding event.

From: Specific inhibition of the Survivin–CRM1 interaction by peptide-modified molecular tweezers

Fig. 5

a Main hydrogen bonds (HB, red) established between Survivin monomers (gray, violet) at the ELTL interface (contact region of both monomers overlapping with the NES, represented in cyan and green). The leucine residues engaged in these interactions are shown in CPK representation. b Occurrence of hydrogen bonds at the dimer interface. c Frequency of noncovalent contacts between the tweezers, bound to K103, and the NES as well as with the ELTL region (95ELTL98) of the dimer interface.

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