Figure 5 | Scientific Reports

Figure 5

From: Multiple Simulated Annealing-Molecular Dynamics (MSA-MD) for Conformational Space Search of Peptide and Miniprotein

Figure 5

The Cα RMSD and the potential energy distributions of 1, 5, 10 and 20 ns MSA-MD simulations.

(A) The Cα RMSD distribution of 1, 5, 10 and 20 ns MSA-MD. (B) The potential energy distribution of 1, 5, 10 and 20 ns MSA-MD. (C) The Cα RMSD distribution of the 64 structures after screening. The distribution of Cα RMSD value of the final 64 structures after screen.

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