6 The Dynamics of Water Molecules Confined in the Interior of DMPC. . .
97
7. Senapati S, Berkowitz ML (2004) Computer simulation studies of water states in perfluoro
polyether reverse micelles: effects of changing the counterion. J Phys Chem A 108:9768–9776.
https://doi.org/10.1021/jp048954p
8. Gburski Z, Gorny K, Raczynski P (2010) The impact of a carbon nanotube on the
cholesterol domain localized on a protein surface. Solid State Commun 150:415–418.
https://doi.org/10.1016/j.ssc.2009.12.005
9. Kosmider M, Dendzik Z, Palucha S, Gburski Z Computer simulation of argon
cluster inside a single-walled carbon nanotube. J Mol Struct 704:197–291.
https://doi.org/10.1016/j.molstruc.2004.02.050
10. Feller SE, Yin D, Pastor RW, MacKerell AD (1977) Molecular dynamics simulation of
unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction
studies. Biophys J 73:2269–2279. https://doi.org/10.1016/S0006-3495(97)78259-6
11. Faramarzi S, Bonnett B, Scaggs CS, Ho A, Grodi D, Harvey E, Mertz B (2017) Molecular
dynamics simulations as a tool for accurate determination of surfactant micelle properties.
Langmuir 33:9934–9943. https://doi.org/10.1021/acs.langmuir.7b02666
12. Munusamy E, Luft C, Pemberton M, Schwartz SD Structural properties of nonionic
Monorhamnolipid aggregates in water studied by classical molecular dynamics simulations.
J Phys Chem B 121:5781–5793. https://doi.org/10.1021/acs.jpcb.7b00997
13. Dawid A, Gburski Z (2003) Interaction-induced light scattering in a fullerene surrounded by
an ultrathin argon “atmosphere”: molecular dynamics simulation. Phys Rev A 68:065202.
https://doi.org/10.1103/PhysRevA.68.065202
14. Abel S, Dupradeau FY, Raman EP, MacKerell AD, Marchi M (2011) Molecular simulations
of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force
field parameters. J Phys Chem B 115:487–499. https://doi.org/10.1021/jp109545v
15. Gburski Z (1985) Convergence of memory functions for the vibrational dephasing process in
123 liquids. Chem Phys Lett 115:236–240. https://doi.org/10.1016/0009-2614(85)80687-4
16. Abel S, Dupradeau FY, Marchi M (2012) Molecular dynamics simulations of
a characteristic DPC micelle in water. J Chem Theory Comput 8:4610–4623.
https://doi.org/10.1021/ct3003207
17. Stassen H, Gburski Z (1994) Instantaneous normal-mode analysis of binary-liquid Ar-Kr
mixtures. Chem Phys Lett 217:325–332. https://doi.org/10.1016/0009-2614(93)E1390-3
18. Bruce C, Senapati S, Berkowitz ML, Perera L, Forbes MDE (2002) Molecular dynamics
simulations of sodium dodecyl sulfate micelle in water: the behavior of water. J Phys Chem
B 106:10902–10907. https://doi.org/10.1021/jp013616z
19. Dawid A, Gburski Z (2003) Rayleigh light scattering in fullerene covered by a spherical argon film - a molecular dynamics study. J Phys Cond-Matter 15:2399–2405.
https://doi.org/10.1088/0953-8984/15/14/315
20. Sanders SA, Sammalkorpi M, Panagiotopoulos AZ (2012) Atomistic simulations of micellization of sodium hexyl, heptyl, octyl, and nonyl sulfates. J Phys Chem B 116:2430–2437.
https://doi.org/10.1021/jp209207p
21. Marrink SJ, deVries AH, Mark AE (2004) Coarse grained model for semiquantitative lipid
simulations. J Phys Chem B 108:750–760. https://doi.org/10.1021/jp036508g
22. Gburski Z (1984) Line shape in collision-induced absorption – Mori theory. Chem Phys Letters
106:55–59. https://doi.org/10.1016/0009-2614(84)87010-4
23. Santos AP, Panagiotopoulos AZ (2016) Determination of the critical micelle
concentration in simulations of surfactant systems. J Chem Phys 144:044709.
https://doi.org/10.1063/1.4940687
24. Marrink SJ, Tieleman DP, Mark AE (2000) Molecular dynamics simulation of
the kinetics of spontaneous micelle formation. J Phys Chem B 104:12165–12173.
https://doi.org/10.1021/jp001898h
25. Gwizdala W, Gorny K, Gburski Z (2008) Molecular dynamics and dielectric loss in 4-cyano-4n-pentylbiphenyl (5CB) mesogene film surrounding carbon nanotube – computer simulation. J
Molec Struct 887:148–151. https://doi.org/10.1016/j.molstruc.2007.12.045
97
7. Senapati S, Berkowitz ML (2004) Computer simulation studies of water states in perfluoro
polyether reverse micelles: effects of changing the counterion. J Phys Chem A 108:9768–9776.
https://doi.org/10.1021/jp048954p
8. Gburski Z, Gorny K, Raczynski P (2010) The impact of a carbon nanotube on the
cholesterol domain localized on a protein surface. Solid State Commun 150:415–418.
https://doi.org/10.1016/j.ssc.2009.12.005
9. Kosmider M, Dendzik Z, Palucha S, Gburski Z Computer simulation of argon
cluster inside a single-walled carbon nanotube. J Mol Struct 704:197–291.
https://doi.org/10.1016/j.molstruc.2004.02.050
10. Feller SE, Yin D, Pastor RW, MacKerell AD (1977) Molecular dynamics simulation of
unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction
studies. Biophys J 73:2269–2279. https://doi.org/10.1016/S0006-3495(97)78259-6
11. Faramarzi S, Bonnett B, Scaggs CS, Ho A, Grodi D, Harvey E, Mertz B (2017) Molecular
dynamics simulations as a tool for accurate determination of surfactant micelle properties.
Langmuir 33:9934–9943. https://doi.org/10.1021/acs.langmuir.7b02666
12. Munusamy E, Luft C, Pemberton M, Schwartz SD Structural properties of nonionic
Monorhamnolipid aggregates in water studied by classical molecular dynamics simulations.
J Phys Chem B 121:5781–5793. https://doi.org/10.1021/acs.jpcb.7b00997
13. Dawid A, Gburski Z (2003) Interaction-induced light scattering in a fullerene surrounded by
an ultrathin argon “atmosphere”: molecular dynamics simulation. Phys Rev A 68:065202.
https://doi.org/10.1103/PhysRevA.68.065202
14. Abel S, Dupradeau FY, Raman EP, MacKerell AD, Marchi M (2011) Molecular simulations
of dodecyl-β-maltoside micelles in water: influence of the headgroup conformation and force
field parameters. J Phys Chem B 115:487–499. https://doi.org/10.1021/jp109545v
15. Gburski Z (1985) Convergence of memory functions for the vibrational dephasing process in
123 liquids. Chem Phys Lett 115:236–240. https://doi.org/10.1016/0009-2614(85)80687-4
16. Abel S, Dupradeau FY, Marchi M (2012) Molecular dynamics simulations of
a characteristic DPC micelle in water. J Chem Theory Comput 8:4610–4623.
https://doi.org/10.1021/ct3003207
17. Stassen H, Gburski Z (1994) Instantaneous normal-mode analysis of binary-liquid Ar-Kr
mixtures. Chem Phys Lett 217:325–332. https://doi.org/10.1016/0009-2614(93)E1390-3
18. Bruce C, Senapati S, Berkowitz ML, Perera L, Forbes MDE (2002) Molecular dynamics
simulations of sodium dodecyl sulfate micelle in water: the behavior of water. J Phys Chem
B 106:10902–10907. https://doi.org/10.1021/jp013616z
19. Dawid A, Gburski Z (2003) Rayleigh light scattering in fullerene covered by a spherical argon film - a molecular dynamics study. J Phys Cond-Matter 15:2399–2405.
https://doi.org/10.1088/0953-8984/15/14/315
20. Sanders SA, Sammalkorpi M, Panagiotopoulos AZ (2012) Atomistic simulations of micellization of sodium hexyl, heptyl, octyl, and nonyl sulfates. J Phys Chem B 116:2430–2437.
https://doi.org/10.1021/jp209207p
21. Marrink SJ, deVries AH, Mark AE (2004) Coarse grained model for semiquantitative lipid
simulations. J Phys Chem B 108:750–760. https://doi.org/10.1021/jp036508g
22. Gburski Z (1984) Line shape in collision-induced absorption – Mori theory. Chem Phys Letters
106:55–59. https://doi.org/10.1016/0009-2614(84)87010-4
23. Santos AP, Panagiotopoulos AZ (2016) Determination of the critical micelle
concentration in simulations of surfactant systems. J Chem Phys 144:044709.
https://doi.org/10.1063/1.4940687
24. Marrink SJ, Tieleman DP, Mark AE (2000) Molecular dynamics simulation of
the kinetics of spontaneous micelle formation. J Phys Chem B 104:12165–12173.
https://doi.org/10.1021/jp001898h
25. Gwizdala W, Gorny K, Gburski Z (2008) Molecular dynamics and dielectric loss in 4-cyano-4n-pentylbiphenyl (5CB) mesogene film surrounding carbon nanotube – computer simulation. J
Molec Struct 887:148–151. https://doi.org/10.1016/j.molstruc.2007.12.045