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Poland KS, Shardy DL, Azim M, Naeem R, Krance RA, Dreyer ZE, Neeley ES, Zhang N, Qiu YH, Kornblau SM , Plon SE

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20, 10.3390/ijms20081959 144 HassanniaB.Van CoillieS.Vanden BergheT

[112] used all-atom molecular dynamics simulations to systematically investigate the interaction between MDM2 and three p53 variants (including WT, p53 with a biaryl aromatic staple, and p53 with an aliphatic hydrocarbon staple) (Figure 8B), demonstrating the stapled peptides of p53 were more thermodynamically favorable than the WT, and proposed that the introduction of restriction to the peptide conformation can effectively increase the binding affinity and the rigidity of the staple is more beneficial for the binding [112]