Figure 1 | Scientific Reports

Figure 1

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

Figure 1

(a) The changes in the RMSD values of backbone atoms of α-ChT, (b) the number of adsorbed atoms and (c) the contact area between the CNT and the enzyme with respect to 200 ns simulation time in aqueous and heptane media for the free and immobilized enzymes. The RMSD is for deviation from the crystal structure. 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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