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Fig. 2 | Parasites & Vectors

Fig. 2

From: Functional structure and antimicrobial activity of persulcatusin, an antimicrobial peptide from the hard tick Ixodes persulcatus

Fig. 2

Potential energy, RMSD plot, RMSD histogram and output structure of MD simulation results. We performed Molecular dynamics with 10 structures obtained by Homology modeling. Each figure shows total potential energy (a, e), root mean square deviation (RMSD) (b, f), RMSD histogram (c, g) and output structure (d, h). In simulation with S-S bond, we select the result of Cluster-4 for stable structure group (d) because it is considered that the result of Cluster-4 has been lowest potential energy transition (a) and most stable condition. As a result of simulation without S-S bond, it is shown that RMSD score (f) has been remarkably high and structure (h) have greatly changed in the simulation process compared to simulation with S-S bond

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Parasites & Vectors

ISSN: 1756-3305

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