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• W1971294399 startingPage "563" @default.
• W1971294399 abstract "Phase-transition properties of glycerol-1-monopalmitate (GMP) bilayers are investigated using explicit-solvent molecular dynamics (MD) simulations, initiated from structures appropriate for the gel (GL) or liquid crystal (LC) phases, and carried out at different hydration levels and temperatures. Building up on a previous study and based on 600 ns simulations, the influence of the system size and of the force field on the equilibrium thermodynamic and dynamic parameters of the bilayers in the GL and LC phases, as well as on the temperature Tm and properties of the GL ↔ LC phase transition, are analysed. Qualitatively speaking, the results agree with the available experimental data for the area per lipid in the two phases and for the phase-transition temperatures at the three hydration levels irrespective of the selected model parameters. They also suggest that the total number of hydrogen bonds formed between a lipid headgroup and its environment is essentially constant, amounting to about four in both the LC and the GL phases. Quantitatively speaking, the dependence of Tm on the hydration level is found to be non-systematic across the different combinations of model parameters. This results in part from a sensitivity of the results on the system size and force-field parameters but also from the limited accuracy of the bracketing approach employed here to estimate Tm. Finally, a simple kinetic model is proposed to account for the timescales of the transitions. This model involves enthalpy and entropy increases of about 26 kJ mol− 1 and 83 J mol− 1 K− 1 per lipid, upon going from the GL to the LC phase. The transition state is associated with activation parameters corresponding to 13% and 11%, respectively, of these values along the GL → LC transition, resulting in an activation free energy of about 0.3 kJ mol− 1 per lipid at Tm." @default.
• W1971294399 created "2016-06-24" @default.
• W1971294399 creator A5005181934 @default.
• W1971294399 creator A5023644672 @default.
• W1971294399 creator A5025905549 @default.
• W1971294399 date "2013-06-01" @default.
• W1971294399 modified "2023-09-26" @default.
• W1971294399 title "Phase-transition properties of glycerol-monopalmitate lipid bilayers investigated by molecular dynamics simulation: influence of the system size and force-field parameters" @default.
• W1971294399 cites W1491824558 @default.
• W1971294399 cites W1548566755 @default.
• W1971294399 cites W1559262509 @default.
• W1971294399 cites W1564861448 @default.
• W1971294399 cites W1631763010 @default.
• W1971294399 cites W1968583410 @default.
• W1971294399 cites W1972468053 @default.
• W1971294399 cites W1974497425 @default.
• W1971294399 cites W1975367038 @default.
• W1971294399 cites W1981854298 @default.
• W1971294399 cites W1983751658 @default.
• W1971294399 cites W1984861066 @default.
• W1971294399 cites W1986477737 @default.
• W1971294399 cites W1988199829 @default.
• W1971294399 cites W1993140443 @default.
• W1971294399 cites W1995534977 @default.
• W1971294399 cites W1995816895 @default.
• W1971294399 cites W1996444753 @default.
• W1971294399 cites W1997279293 @default.
• W1971294399 cites W2002982492 @default.
• W1971294399 cites W2006912550 @default.
• W1971294399 cites W2009744041 @default.
• W1971294399 cites W2013056124 @default.
• W1971294399 cites W2013987405 @default.
• W1971294399 cites W2014652198 @default.
• W1971294399 cites W2017316247 @default.
• W1971294399 cites W2018142647 @default.
• W1971294399 cites W2019194317 @default.
• W1971294399 cites W2022074662 @default.
• W1971294399 cites W2024993418 @default.
• W1971294399 cites W2025396755 @default.
• W1971294399 cites W2026885029 @default.
• W1971294399 cites W2027154929 @default.
• W1971294399 cites W2028097346 @default.
• W1971294399 cites W2028214652 @default.
• W1971294399 cites W2035266068 @default.
• W1971294399 cites W2038502849 @default.
• W1971294399 cites W2041299395 @default.
• W1971294399 cites W2043446587 @default.
• W1971294399 cites W2044307316 @default.
• W1971294399 cites W2049831150 @default.
• W1971294399 cites W2052177037 @default.
• W1971294399 cites W2052996737 @default.
• W1971294399 cites W2053037607 @default.
• W1971294399 cites W2053747306 @default.
• W1971294399 cites W2058075335 @default.
• W1971294399 cites W2058651694 @default.
• W1971294399 cites W2059048170 @default.
• W1971294399 cites W2059443946 @default.
• W1971294399 cites W2060189458 @default.
• W1971294399 cites W2064769762 @default.
• W1971294399 cites W2064888742 @default.
• W1971294399 cites W2065049666 @default.
• W1971294399 cites W2071740908 @default.
• W1971294399 cites W2072298005 @default.
• W1971294399 cites W2074135910 @default.
• W1971294399 cites W2075955627 @default.
• W1971294399 cites W2076588551 @default.
• W1971294399 cites W2085376942 @default.
• W1971294399 cites W2087520681 @default.
• W1971294399 cites W2091023131 @default.
• W1971294399 cites W2093683312 @default.
• W1971294399 cites W2097504123 @default.
• W1971294399 cites W2099490136 @default.
• W1971294399 cites W2101994321 @default.
• W1971294399 cites W2102853849 @default.
• W1971294399 cites W2103734924 @default.
• W1971294399 cites W2103945336 @default.
• W1971294399 cites W2106140689 @default.
• W1971294399 cites W2119621239 @default.
• W1971294399 cites W2121362961 @default.
• W1971294399 cites W2121936687 @default.
• W1971294399 cites W2127522551 @default.
• W1971294399 cites W2135950066 @default.
• W1971294399 cites W2136890404 @default.
• W1971294399 cites W2138982267 @default.
• W1971294399 cites W2141367941 @default.
• W1971294399 cites W2142271097 @default.
• W1971294399 cites W2142298838 @default.
• W1971294399 cites W2145904122 @default.
• W1971294399 cites W2155858732 @default.
• W1971294399 cites W2159149836 @default.
• W1971294399 cites W2159799532 @default.
• W1971294399 cites W2160679445 @default.
• W1971294399 cites W2164172630 @default.
• W1971294399 cites W2169980354 @default.
• W1971294399 cites W2170193142 @default.
• W1971294399 cites W2171458923 @default.
• W1971294399 cites W2322798120 @default.
• W1971294399 cites W2329702288 @default.

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