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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 (Å2) 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
62.0 (323K) Structural information from multilamellar liposomes at full hydration: full q-range fitting with high quality X-ray data. [15]