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Molecular dynamics simulations of the gramicidin A-dimyristoylphosphatidylcholine system with an ion in the channel pore region

✍ Scribed by Yu Zhou Tang; Wei Zu Chen; Cun Xin Wang


Publisher
Springer
Year
2000
Tongue
English
Weight
305 KB
Volume
29
Category
Article
ISSN
1432-1017

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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