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(A) PCA of 2ZHV- FDB017657 showing a stable configuration. (B) Energy plot of protein BACE1 and FDB017657 complex system during the entire simulation event of 150 ns. (C,D) The change in PCA movements. The total energy (dark green), van der Waal’s energy (cyan) and Coulomb energy (red) of the entire system indicate the stability of the individual systems bound to FDB017657 molecule.
