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27. Schlenkrich M, Brickmann J, MacKerell AD, Karplus M (1996) An empirical potential energy
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Merz, B. Roux (eds), Biol Membr Mol Perspect Comput Exp, Birkhäuser Boston, Boston,
pp 31–81. https://doi.org/10.1007/978-1-4684-8580-6_2
28. Piatek A, Dawid A, Gburski Z (2011) The properties of small fullerenol
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29. Gburski Z, Gray CD, Sullivan DE (1983) Information-theory of line-shape in collision-induced
absorption. Chem Phys Letters 100:383–386. https://doi.org/10.1016/0009-2614(83)80292-9
30. Mizuguchi T, Ishizuka R, Matubayasi N (2015) Effect of diffuseness of micelle boundary on
the solute distribution upon solubilization. Chem Phys Letters 624:19−23 doi.org/10.1016/
j.cplett.2015.02.001
31. Dawid A, Gburski Z (1999) Interaction-induced light-scattering in xenon
cluster:
molecular
dynamics
study.
J
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Struct
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32. Kale L, Skeel R, Bhandarkar M, Brunner R, Gursoy A, Krawetz N, Phillips J, Shinozaki
A, Varadarajan K, Schulten K (1999) NAMD2: greater scalability for parallel molecular 156
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33. Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L,
Schulten K (2005) Scalable molecular dynamics with NAMD. J Comput Chem 26:1781–1802.
https://doi.org/10.1002/jcc.20289
34. Lee S, Tran A, Allsopp M, Lim JB, Hénin J, Klauda JB (2014) CHARMM36
united atom chain model for lipids and surfactants. J Phys Chem B 118:547–556.
https://doi.org/10.1021/jp410344g
35. Humphrey W, Dalke A, Schulten K (1996) VMD: visual molecular dynamics. J Mol Graph
Model 14:33–38. https://doi.org/10.1016/0263-7855(96)00018-5
36. Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79:926–935.
https://doi.org/10.1063/1.445869
37. Dendzik Z, Gorny K, Gburski Z (2009) Cooperative dipolar relaxation of a glycerol molecular
cluster in nanoscale confinement-a computer simulation study. J Physics-Condensed Matter
21:425101. https://doi.org/10.1088/0953-8984/21/42/425101
38. Dawid A, Gorny K, Gburski Z (2011) The structural studies of fullerenol C-60(OH)(24) and
nitric oxide mixture in water solvent - MD simulation. Nitric Oxide Biol Chem 25:373–380.
https://doi.org/10.1016/j.niox.2011.08.004
39. Gorny K, Dendzik Z, Raczynski P, Gburski Z (2011) Dynamic properties of propylene glycol
confined in ZSM-5 zeolite matrix-a computer simulation study. Solid State Commun 152:8–12.
https://doi.org/10.1016/j.ssc.2011.10.020
D. Makieła et al.
26. Dawid A, Dendzik Z, Gburski Z (2004) Molecular dynamics study of
ultrathin argon layer covering fullerene molecule. J Molec Struct 704:173–176.
https://doi.org/10.1016/j.molstruc.2004.01.065
27. Schlenkrich M, Brickmann J, MacKerell AD, Karplus M (1996) An empirical potential energy
function for phospholipids: criteria for parameter optimization and applications, In: K.M.
Merz, B. Roux (eds), Biol Membr Mol Perspect Comput Exp, Birkhäuser Boston, Boston,
pp 31–81. https://doi.org/10.1007/978-1-4684-8580-6_2
28. Piatek A, Dawid A, Gburski Z (2011) The properties of small fullerenol
cluster (C60(OH)24)7: computer simulation. Spectrochim Acta A 79:819–823.
https://doi.org/10.1016/j.saa.2010.08.059
29. Gburski Z, Gray CD, Sullivan DE (1983) Information-theory of line-shape in collision-induced
absorption. Chem Phys Letters 100:383–386. https://doi.org/10.1016/0009-2614(83)80292-9
30. Mizuguchi T, Ishizuka R, Matubayasi N (2015) Effect of diffuseness of micelle boundary on
the solute distribution upon solubilization. Chem Phys Letters 624:19−23 doi.org/10.1016/
j.cplett.2015.02.001
31. Dawid A, Gburski Z (1999) Interaction-induced light-scattering in xenon
cluster:
molecular
dynamics
study.
J
Molec
Struct
482-483:271–276.
https://doi.org/10.1016/S0022-2860(98)00668-1
32. Kale L, Skeel R, Bhandarkar M, Brunner R, Gursoy A, Krawetz N, Phillips J, Shinozaki
A, Varadarajan K, Schulten K (1999) NAMD2: greater scalability for parallel molecular 156
dynamics. J Comput Phys 151:283–312. https://doi.org/10.1006/jcph.1999.6201
33. Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L,
Schulten K (2005) Scalable molecular dynamics with NAMD. J Comput Chem 26:1781–1802.
https://doi.org/10.1002/jcc.20289
34. Lee S, Tran A, Allsopp M, Lim JB, Hénin J, Klauda JB (2014) CHARMM36
united atom chain model for lipids and surfactants. J Phys Chem B 118:547–556.
https://doi.org/10.1021/jp410344g
35. Humphrey W, Dalke A, Schulten K (1996) VMD: visual molecular dynamics. J Mol Graph
Model 14:33–38. https://doi.org/10.1016/0263-7855(96)00018-5
36. Jorgensen WL, Chandrasekhar J, Madura JD, Impey RW, Klein ML (1983) Comparison of simple potential functions for simulating liquid water. J Chem Phys 79:926–935.
https://doi.org/10.1063/1.445869
37. Dendzik Z, Gorny K, Gburski Z (2009) Cooperative dipolar relaxation of a glycerol molecular
cluster in nanoscale confinement-a computer simulation study. J Physics-Condensed Matter
21:425101. https://doi.org/10.1088/0953-8984/21/42/425101
38. Dawid A, Gorny K, Gburski Z (2011) The structural studies of fullerenol C-60(OH)(24) and
nitric oxide mixture in water solvent - MD simulation. Nitric Oxide Biol Chem 25:373–380.
https://doi.org/10.1016/j.niox.2011.08.004
39. Gorny K, Dendzik Z, Raczynski P, Gburski Z (2011) Dynamic properties of propylene glycol
confined in ZSM-5 zeolite matrix-a computer simulation study. Solid State Commun 152:8–12.
https://doi.org/10.1016/j.ssc.2011.10.020