Table 1 Parameters used in BE-META simulations in water.

From: Fusing simulation and experiment: The effect of mutations on the structure and activity of the influenza fusion peptide

 

Radius of gyration

MSD

Hbonds

Hydrophobic contacts

Alphabeta

Alpharmsd

Antibetarmsd

Dihedral correlation

Sigma

0.05

0.05

2

20

0.5

0.2

0.2

0.2

Interval

0.6–1.2

0.2–0.8

28–48

430–570

1–15

0.2–6

0.2–6

10–25

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