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Folding simulations of gramicidin A into the β-helix conformations: Simulated annealing molecular dynamics study

✍ Scribed by Mori, Takaharu; Okamoto, Yuko

Book ID
120636335
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
628 KB
Volume
131
Category
Article
ISSN
0021-9606

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Gramicidin A (gA) is prototypical peptide antibiotic and a model ion channel former. Configured in the solid-state NMR beta(6.5)-helix channel conformation, gA was subjected to 1-ns molecular dynamics (MD) gas phase simulations using the all-atom charmm22 force field to ascertain the conformational