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Table 2 Comparison of area per lipid in simulation and experimental value in previous studies

From: Revealing the functionality of hypothetical protein KPN00728 from Klebsiella pneumonia e MGH78578: molecular dynamics simulation approaches

References

Area per lipid (Ã…2)

References

 

Simulation

Experimental

 

Lipid Models for United-Atom Molecular Dynamics Simulations of Proteins [8]

65.4±0.8

68.3

Structure of fully hydrated fluid phase lipid bilayers with monounsaturated chains [7]

Molecular characterization of gel and liquid-crystalline structures of fully hydrated POPC and POPE bilayers. [9]

~60.0-76.0

63.0 (310K)

Phosphatidylcholine acyl unsaturation modulates the decrease in interfacial elasticity induced by cholesterol [14]

Performance of the general amber force field in modeling aqueous POPC membrane bilayers [13]

50.0±0.43

54.8±0.25

62.0 (323K)

Structural information from multilamellar liposomes at full hydration: full q-range fitting with high quality X-ray data. [15]