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System studied | Summary of simulations | Reference |
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MD simulations of glycolipids focusing on behavior of glycolipids at lipid bilayers |
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Single GD1a in DMPC bilayer | One simulation of single GD1a in a bilayer composed of 15 DMPC molecules was performed for 0.6 ns | [16] |
Single GM1 in DPC micelle | Single GM1 and GM1-Os was simulated for 1 ns in 84 DPC micelle and water. The effect of chain length of GM1 on the conformation and dynamics of head-group was also evaluated | [17] |
Single GM1 in DMPC bilayer | One simulation of single GM1 in a bilayer composed of 15 DMPC molecules was performed for 1 ns | [18] |
Single GM1* in DOPC bilayer | 3.8 ns simulations of GM1* in a system composed of 278 DOPC lipid bilayer | [19] |
Single GM1 in DPPC bilayer | 11 simulations of a GM1 in a bilayer composed of 97 DPPC were performed. The dynamics of GM1 in lipid bilayer was compared with that of GM1-Os in water | [20] |
Single GM3 in DMPC bilayer | 30 ns long simulations of GM3 in DMPC bilayer and GM3-Os in water were performed | [14] |
One GM1* in each monolayer of DOPC molecules | 40 ns long simulations of a system composed of two GM1* molecules, one in each leaflet, in 278 DOPC lipid bilayer | [21] |
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MD simulations of glycolipids focusing on study of glycolipid enriched microdomains |
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Pure GM3 bilayer | 50 ns simulation of a bilayer composed of 128 GM3 was performed as a model system to study gangliosides aggregates | [22, 23] |
Glucosyl-glycerol bilayer | Five different sets of parameters were used to simulate bilayer composed of 128 palmitoyl-glucosyl glycerols. Simulations were performed for 10–25 ns. The goal of study was to find correct parameters set that reproduce experimental data | [24] |
GalCer and DPPG bilayer | Lipid bilayers composed of 1024 molecules of DPPG and consisting of 10% and 25% GalCer were simulated for 10 ns | [25] |
Glucosyl and galactosyl glycerolipid | Bilayers composed of 128 glucosyl and galactosyl glycerolipids were simulated. Structural and dynamical properties of these bilayers were compared with that of PC and PE bilayers | [26] |
4 GM1 in a bilayer composed of POPC and cholesterol | 40 ns simulation of ternary bilayer composed of GM1, cholesterol and POPC was performed. The structure and dynamics of this lipid bilayer was compared with that of pure and binary lipid bilayers | [27] |
Varying concentrations of GM1 in DPPC bilayer | Lipid bilayers composed of varying concentrations of GM1 in DPPC bilayer (~5–25%) were studied using 20 ns MD simulations. Simulations were performed for systems containing GM1 in single as well as both leaflets of bilayer | [28] |
Simulations of GalCer in a raft like membrane | 200 ns simulations of GalCer in raft like membrane composed of POPC, PSM, and cholesterol | [29] |
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