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. 2026 Mar 13;29(4):115367. doi: 10.1016/j.isci.2026.115367

Figure 6.

Figure 6

Molecular dynamics simulation analysis

(A) RMSD value of the amino acid skeleton atom of the complex with respect to time.

(B) RMSF value fluctuation diagram of the amino acid skeleton atoms of the complex.

(C) Hydrogen bond formation diagram of the complex.

(D) Composite SASA analysis chart.

(E) Energy disassembly of key residues of the complex.