Figure 2 | Scientific Reports

Figure 2

From: Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube in Organic Media by Molecular Dynamics Simulation

Figure 2

The representative snapshots selected from the 200 ns simulation trajectories on basis of the RMSD variation of the α-ChT in aqueous (Top) and heptane (Bottom) media for the immobilized enzymes.

α-ChT is displayed in ribbon style and colored by secondary structure type. The CNT is displayed in CPK style. The residues within 6 Å of the CNT surface are displayed in line style. The initial structure of the enzyme-CNT complex in cnt-hep system is derived from the last snapshot of the 100 ns trajectories in cnt-wat system.

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