Table 1 Comparison of the results from MSA-MD simulation of the seven peptides.

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

Protein

Chain length

Secondary structure type

time scale (ns)

RMSD region (residue numbers)

Lowest Cα RMSD/Å

1AL1

12

α-helix

10

1–12

0.198

1L2Y

20

α-helix

10

1–20

0.960

PolyAla

11

α-helix

10

1–11

0.197

1UAO

10

β–turn

10

1–10

1.200

1E0Q

17

β–sheet

10

1–17

2.955

1ERD

40

α-helix

10

4–34

2.908

1GAB

53

α-helix

10

9–52

4.715

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