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Binding of Antimicrobial Lipopeptides To Lipid Bilayers Characterized By Microsecond Molecular Dynamics Simulations

✍ Scribed by Horn, Joshua N.; Romo, Tod D.; Pitman, Michael C.; Grossfield, Alan


Book ID
119206621
Publisher
Biophysical Society
Year
2010
Tongue
English
Weight
70 KB
Volume
98
Category
Article
ISSN
0006-3495

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We describe a new equilibration procedure for the atomic level simulation of a hydrated lipid bilayer. The procedure consists of alternating molecular dynamics trajectory calculations in a constant surface tension and temperature ensemble with configurational bias Monte Carlo moves to different regi