255
8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
Fig. 8.5 RMS Fluctuations from last 5 ns of simulations. Each peptide has lower stable parts at
both ends and in the middle. Stability of peptide is influenced by sidechains—Leu stabilizes helix,
Ala, Ile and Val increase the fluctuations
Fig. 8.6 Fluctuations of amino acid side chains. Lys atoms are most stable and Ile atoms are the
lowest stable at same temperature and a position on side chain. But the distortions of helical conformation can increase fluctuations (L 24 at DPPC/gel at C end)
8 Molecular Dynamics Simulations of Lipid Bilayers with Incorporated Peptides
Fig. 8.5 RMS Fluctuations from last 5 ns of simulations. Each peptide has lower stable parts at
both ends and in the middle. Stability of peptide is influenced by sidechains—Leu stabilizes helix,
Ala, Ile and Val increase the fluctuations
Fig. 8.6 Fluctuations of amino acid side chains. Lys atoms are most stable and Ile atoms are the
lowest stable at same temperature and a position on side chain. But the distortions of helical conformation can increase fluctuations (L 24 at DPPC/gel at C end)