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Structures, Dynamics, and Water Permeation Free Energy across Bilayers of Lipid A and Its Analog Studied with Molecular Dynamics Simulation

✍ Scribed by Wei, Tao; Huang, Tiefan; Qiao, Baofu; Zhang, Mo; Ma, Heng; Zhang, Lin

Book ID
126761217
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
958 KB
Volume
118
Category
Article
ISSN
0022-3654

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We present molecular dynamics simulations of dimyristoylphosphatidylcholine (DMPC) lipid bilayers in the presence of dimethyl sulfoxide (DMSO). The MD simulations focus on understanding the effect of 3 mol % DMSO on structural and permeation properties of DMPC bilayers. The potential of mean force (