Modeling glycolipids: take one.

Tomasz Rog; Ilpo Vattulainen; Mikko Karttunen

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PubMed · 16341271

Modeling glycolipids: take one.

Tomasz Rog·Ilpo Vattulainen·Mikko Karttunen

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Abstract

Molecular dynamics simulations of glycolipid bilayers consisting of 1,2-di-O-palmitoyl-3-O-beta-D-glucosyl-sn-glycerol were performed using five different force field parameterizations. Comparing the results with experimental data revealed that only the all-atom model correctly reproduces both the phase behavior and the surface area per lipid. Only one of the united atom models studied reproduces the correct phase behavior.

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Computer Simulation Glycolipids Lipid Bilayers Models, Molecular Journal Article

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Tomasz Rog, Ilpo Vattulainen, Mikko Karttunen. 2005. Modeling glycolipids: take one.. https://pubmed.ncbi.nlm.nih.gov/16341271/

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