Figure 2 | Scientific Reports

Figure 2

From: Robust Denaturation of Villin Headpiece by MoS2 Nanosheet: Potential Molecular Origin of the Nanotoxicity

Figure 2

Structural dynamics of HP35 on MoS2 surface.

(A) Time profile of native contact Q of HP35 (black) and heavy atom contact number between HP35 sidechains and MoS2 (red). (B,C) Time profiles for hydrogen bond and α-helix ratios of HP35 on MoS2, respectively. (D) Key intermediate structures of HP35 along the representative simulation trajectory. Some key residues are highlighted with sticks marked in green and blue for carbons and nitrogens, respectively. Other representation schemes are same as those used in Fig. 1.

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