-
1
-
-
0004574017
-
Microemulsions versus micelles
-
Prince L.M. Microemulsions versus micelles. J. Colloid Interf. Sci. 1975, 52:182-188.
-
(1975)
J. Colloid Interf. Sci.
, vol.52
, pp. 182-188
-
-
Prince, L.M.1
-
2
-
-
33750406161
-
Theory of self-assembly of hydrocarbon amphiphiles into micelles and bilayers
-
Israelachvili J.N., Mitchell D.J., Ninham B.W. Theory of self-assembly of hydrocarbon amphiphiles into micelles and bilayers. J. Chem. Soc. Farad. Trans. 1976, 2(72):1525-1568.
-
(1976)
J. Chem. Soc. Farad. Trans.
, vol.2
, Issue.72
, pp. 1525-1568
-
-
Israelachvili, J.N.1
Mitchell, D.J.2
Ninham, B.W.3
-
7
-
-
0002596230
-
Micelles and microemulsions
-
Langevin D. Micelles and microemulsions. Ann. Rev. Phys. Chem. 1992, 43:341-369.
-
(1992)
Ann. Rev. Phys. Chem.
, vol.43
, pp. 341-369
-
-
Langevin, D.1
-
8
-
-
0037148656
-
Poly(ethylene oxide)-block-poly(L-amino acid) micelles for drug delivery
-
Lavasanifar A., Samuel J., Kwon G.S. Poly(ethylene oxide)-block-poly(L-amino acid) micelles for drug delivery. Adv. Drug Deliver. Rev. 2002, 54:169-190.
-
(2002)
Adv. Drug Deliver. Rev.
, vol.54
, pp. 169-190
-
-
Lavasanifar, A.1
Samuel, J.2
Kwon, G.S.3
-
9
-
-
65249174160
-
Diffusion of an ionic drug in micellar aqueous solutions
-
Zhang H., Annunziata O. Diffusion of an ionic drug in micellar aqueous solutions. Langmuir 2009, 25:3425-3434.
-
(2009)
Langmuir
, vol.25
, pp. 3425-3434
-
-
Zhang, H.1
Annunziata, O.2
-
10
-
-
80052091167
-
Onyuksel, structure and dynamics of highly PEG-ylated sterically stabilized micelles in aqueous media
-
Vuković L., Khatib F.A., Drake S.P., Madriaga A., Brandenburg K.S., Král P.H. Onyuksel, structure and dynamics of highly PEG-ylated sterically stabilized micelles in aqueous media. J. Am. Chem. Soc. 2011, 133.
-
(2011)
J. Am. Chem. Soc.
, vol.133
-
-
Vuković, L.1
Khatib, F.A.2
Drake, S.P.3
Madriaga, A.4
Brandenburg, K.S.5
Král, P.H.6
-
11
-
-
84857733500
-
Precise hierarchical self-assembly of multicompartment micelles
-
Gröschel A.H., Schacher F.H., Schmalz H., Borisov O.V., Zhulina E.B., Walther A., Müller A.H.E. Precise hierarchical self-assembly of multicompartment micelles. Nat. Comm. 2012, 3. 710-710.
-
(2012)
Nat. Comm.
, vol.3
, pp. 710
-
-
Gröschel, A.H.1
Schacher, F.H.2
Schmalz, H.3
Borisov, O.V.4
Zhulina, E.B.5
Walther, A.6
Müller, A.H.E.7
-
12
-
-
84874827349
-
Can drug molecules diffuse into the core of micelles?
-
Guo X.D., Qian Y., Zhang C.Y., Nie S.Y., Zhang L.J. Can drug molecules diffuse into the core of micelles?. Soft Matter 2012, 8. 9989-9989.
-
(2012)
Soft Matter
, vol.8
, pp. 9989
-
-
Guo, X.D.1
Qian, Y.2
Zhang, C.Y.3
Nie, S.Y.4
Zhang, L.J.5
-
13
-
-
80052602350
-
Shell cross-linked micelle-based nanoreactors for the substrate-selective hydrolytic kinetic resolution of epoxides
-
Liu Y., Wang Y., Wang Y., Lu J., Piñón V., Weck M. Shell cross-linked micelle-based nanoreactors for the substrate-selective hydrolytic kinetic resolution of epoxides. J. Am. Chem. Soc. 2011, 133:14260-14263.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 14260-14263
-
-
Liu, Y.1
Wang, Y.2
Wang, Y.3
Lu, J.4
Piñón, V.5
Weck, M.6
-
14
-
-
84866893357
-
Molecular recognition driven catalysis using polymeric nanoreactors
-
Cotanda P., O'Reilly R.K. Molecular recognition driven catalysis using polymeric nanoreactors. Chem. Comm. 2012, 48:10280-10282.
-
(2012)
Chem. Comm.
, vol.48
, pp. 10280-10282
-
-
Cotanda, P.1
O'Reilly, R.K.2
-
15
-
-
84858204334
-
Functionalized organocatalytic nanoreactors: hydrophobic pockets for acylation reactions in water
-
Cotanda P., Lu A., Patterson J.P., Petzetakis N., O'Reilly R.K. Functionalized organocatalytic nanoreactors: hydrophobic pockets for acylation reactions in water. Macromolecules 2012, 45:2377-2384.
-
(2012)
Macromolecules
, vol.45
, pp. 2377-2384
-
-
Cotanda, P.1
Lu, A.2
Patterson, J.P.3
Petzetakis, N.4
O'Reilly, R.K.5
-
16
-
-
84880962754
-
Advances in nanoreactor technology using polymeric nanostructures
-
Lu A., O'Reilly R.K. Advances in nanoreactor technology using polymeric nanostructures. Curr. Opin. Biotech. 2013, 24:639-645.
-
(2013)
Curr. Opin. Biotech.
, vol.24
, pp. 639-645
-
-
Lu, A.1
O'Reilly, R.K.2
-
17
-
-
0142078749
-
Structure of micellar solutions of some amphiphilic compounds in pure water as determined by absolute small-angle X-ray scattering techniques
-
Reiss-Husson F., Luzzati V. Structure of micellar solutions of some amphiphilic compounds in pure water as determined by absolute small-angle X-ray scattering techniques. J. Phys. Chem. 1964, 68:3504-3511.
-
(1964)
J. Phys. Chem.
, vol.68
, pp. 3504-3511
-
-
Reiss-Husson, F.1
Luzzati, V.2
-
18
-
-
0001082209
-
Investigation of micellar phase of sodium dodecyl-sulfate in aqueous sodium-chloride solutions using quasi-elastic light-scattering spectroscopy
-
Mazer N.A., Benedek G.B., Carey M.C. Investigation of micellar phase of sodium dodecyl-sulfate in aqueous sodium-chloride solutions using quasi-elastic light-scattering spectroscopy. J. Phys. Chem. 1976, 80:1075-1085.
-
(1976)
J. Phys. Chem.
, vol.80
, pp. 1075-1085
-
-
Mazer, N.A.1
Benedek, G.B.2
Carey, M.C.3
-
19
-
-
33947094917
-
Deduction of micellar shape from angular dissymmetry measurements of light scattered from aqueous sodium dodecyl-sulfate solutions at high sodium-chloride concentrations
-
Young C.Y., Missel P.J., Mazer N.A., Benedek G.B., Carey M.C. Deduction of micellar shape from angular dissymmetry measurements of light scattered from aqueous sodium dodecyl-sulfate solutions at high sodium-chloride concentrations. J. Phys. Chem. 1978, 82:1375-1378.
-
(1978)
J. Phys. Chem.
, vol.82
, pp. 1375-1378
-
-
Young, C.Y.1
Missel, P.J.2
Mazer, N.A.3
Benedek, G.B.4
Carey, M.C.5
-
20
-
-
0012852732
-
Quasi-elastic light-scattering-studies of micellar sodium dodecyl-sulfate solutions at the low concentration limit
-
Rohde A., Sackmann E. Quasi-elastic light-scattering-studies of micellar sodium dodecyl-sulfate solutions at the low concentration limit. J. Colloid Interf. Sci. 1979, 70:494-505.
-
(1979)
J. Colloid Interf. Sci.
, vol.70
, pp. 494-505
-
-
Rohde, A.1
Sackmann, E.2
-
21
-
-
33645955096
-
Thermodynamic analysis of the growth of sodium dodecyl-sulfate micelles
-
Missel P.J., Mazer N.A., Benedek G.B., Young C.Y., Carey M.C. Thermodynamic analysis of the growth of sodium dodecyl-sulfate micelles. J. Phys. Chem. 1980, 84:1044-1057.
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 1044-1057
-
-
Missel, P.J.1
Mazer, N.A.2
Benedek, G.B.3
Young, C.Y.4
Carey, M.C.5
-
22
-
-
0041109006
-
Size and shape of charged micelles of ionic surfactants in aqueous salt-solutions
-
Ikeda S., Ozeki S., Hayashi S. Size and shape of charged micelles of ionic surfactants in aqueous salt-solutions. Biophys. Chem. 1980, 11:417-423.
-
(1980)
Biophys. Chem.
, vol.11
, pp. 417-423
-
-
Ikeda, S.1
Ozeki, S.2
Hayashi, S.3
-
23
-
-
37049112723
-
Self-consistent structural and dynamic study of concentrated micelle solutions
-
Hayter J.B., Penfold J. Self-consistent structural and dynamic study of concentrated micelle solutions. J. Chem. Soc. Farad. Trans. I 1981, 77:1851-1863.
-
(1981)
J. Chem. Soc. Farad. Trans. I
, vol.77
, pp. 1851-1863
-
-
Hayter, J.B.1
Penfold, J.2
-
24
-
-
49049145692
-
Fluorescence probe studies of the effect of concentration on the state of aggregation of surfactants in aqueous-solution
-
Lianos P., Zana R. Fluorescence probe studies of the effect of concentration on the state of aggregation of surfactants in aqueous-solution. J. Colloid Interf. Sci. 1981, 84:100-107.
-
(1981)
J. Colloid Interf. Sci.
, vol.84
, pp. 100-107
-
-
Lianos, P.1
Zana, R.2
-
25
-
-
33645927246
-
Fluorescence probe study of oil-in-water micro-emulsions .1. Effect of pentanol and dodecane or toluene on some properties of sodium dodecyl-sulfate micelles
-
Lianos P., Lang J., Strazielle C., Zana R. Fluorescence probe study of oil-in-water micro-emulsions .1. Effect of pentanol and dodecane or toluene on some properties of sodium dodecyl-sulfate micelles. J. Phys. Chem. 1982, 86:1019-1025.
-
(1982)
J. Phys. Chem.
, vol.86
, pp. 1019-1025
-
-
Lianos, P.1
Lang, J.2
Strazielle, C.3
Zana, R.4
-
26
-
-
0020905807
-
Determination of micelle structure and charge by neutron small-angle scattering
-
Hayter J.B., Penfold J. Determination of micelle structure and charge by neutron small-angle scattering. Colloid Polym. Sci. 1983, 261:1022-1030.
-
(1983)
Colloid Polym. Sci.
, vol.261
, pp. 1022-1030
-
-
Hayter, J.B.1
Penfold, J.2
-
27
-
-
0642360186
-
Structure of ionic micelles from small-angle neutron-scattering
-
Bendedouch D., Chen S.H., Koehler W.C. Structure of ionic micelles from small-angle neutron-scattering. J. Phys. Chem. 1983, 87:153-159.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 153-159
-
-
Bendedouch, D.1
Chen, S.H.2
Koehler, W.C.3
-
28
-
-
0001497127
-
Influence of salt, detergent, concentration, and temperature on the fluorescence quenching of 1-methylpyrene in sodium dodecyl-sulfate with meta-dicyanobenzene
-
Croonen Y., Gelade E., Vanderzegel M., Vanderauweraer M., Vandendriessche H., Deschryver F.C., Almgren M. Influence of salt, detergent, concentration, and temperature on the fluorescence quenching of 1-methylpyrene in sodium dodecyl-sulfate with meta-dicyanobenzene. J. Phys. Chem. 1983, 87:1426-1431.
-
(1983)
J. Phys. Chem.
, vol.87
, pp. 1426-1431
-
-
Croonen, Y.1
Gelade, E.2
Vanderzegel, M.3
Vanderauweraer, M.4
Vandendriessche, H.5
Deschryver, F.C.6
Almgren, M.7
-
29
-
-
33845374595
-
Size of sodium dodecyl sulfate micelle in concentrated salt solutions
-
Chen J.M., Su T.M., Mou C.Y. Size of sodium dodecyl sulfate micelle in concentrated salt solutions. J. Phys. Chem. 1986, 90:2418-2421.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 2418-2421
-
-
Chen, J.M.1
Su, T.M.2
Mou, C.Y.3
-
30
-
-
0026373840
-
Theory of surfactant self-assembly-A predictive molecular thermodynamic approach
-
Nagarajan R., Ruckenstein E. Theory of surfactant self-assembly-A predictive molecular thermodynamic approach. Langmuir 1991, 7:2934-2969.
-
(1991)
Langmuir
, vol.7
, pp. 2934-2969
-
-
Nagarajan, R.1
Ruckenstein, E.2
-
31
-
-
0001404190
-
Distance distribution function of sodium dodecyl sulfate micelles by X-ray scattering
-
Itri R., Amaral L.Q. Distance distribution function of sodium dodecyl sulfate micelles by X-ray scattering. J. Phys. Chem. 1991, 95:423-427.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 423-427
-
-
Itri, R.1
Amaral, L.Q.2
-
32
-
-
0031187837
-
A new approach to micellization parameters: its application to sodium dodecyl sulfate micelle
-
Moroi Y., Yoshida N. A new approach to micellization parameters: its application to sodium dodecyl sulfate micelle. Langmuir 1997, 13:3909-3912.
-
(1997)
Langmuir
, vol.13
, pp. 3909-3912
-
-
Moroi, Y.1
Yoshida, N.2
-
33
-
-
2342522662
-
Dynamic fluorescence probing of the microenvironment of sodium dodecyl sulfate micelle solutions: surfactant concentration dependence and solvent isotope effect
-
Shirota H., Tamoto Y., Segawa H. Dynamic fluorescence probing of the microenvironment of sodium dodecyl sulfate micelle solutions: surfactant concentration dependence and solvent isotope effect. J. Phys. Chem. C 2004, 108:3244-3252.
-
(2004)
J. Phys. Chem. C
, vol.108
, pp. 3244-3252
-
-
Shirota, H.1
Tamoto, Y.2
Segawa, H.3
-
34
-
-
84987068172
-
Simulation of a sodium dodecyl-sulfate micelle in aqueous-solution
-
J. Shelley, K. Watanabe, M.L. Klein, Simulation of a sodium dodecyl-sulfate micelle in aqueous-solution, Int. J. Quantum Chem. (1990) 103-117.
-
(1990)
Int. J. Quantum Chem
, pp. 103-117
-
-
Shelley, J.1
Watanabe, K.2
Klein, M.L.3
-
35
-
-
0347963579
-
Molecular dynamics simulation analysis of a sodium dodecyl sulfate micelle in aqueous solution: decreased fluidity of the micelle hydrocarbon interior
-
Mackerell A.D. Molecular dynamics simulation analysis of a sodium dodecyl sulfate micelle in aqueous solution: decreased fluidity of the micelle hydrocarbon interior. J. Phys. Chem. 1995, 99:1846-1855.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1846-1855
-
-
Mackerell, A.D.1
-
36
-
-
0037129516
-
Molecular dynamics simulation of sodium dodecyl sulfate micelle in water: micellar structural characteristics and counterion distribution
-
Bruce C.D., Berkowitz M.L., Perera L., Forbes M.D.E., Hill C., Carolina N. Molecular dynamics simulation of sodium dodecyl sulfate micelle in water: micellar structural characteristics and counterion distribution. J. Phys. Chem. B 2002, 106:3788-3793.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 3788-3793
-
-
Bruce, C.D.1
Berkowitz, M.L.2
Perera, L.3
Forbes, M.D.E.4
Hill, C.5
Carolina, N.6
-
37
-
-
0037168311
-
Molecular dynamics simulations of sodium dodecyl sulfate micelle in water: the behavior of water
-
Bruce C.D., Senapati S., Berkowitz M.L., Perera L., Forbes M.D.E., Hill C., Carolina N. Molecular dynamics simulations of sodium dodecyl sulfate micelle in water: the behavior of water. J. Phys. Chem. B 2002, 106:10902-10907.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 10902-10907
-
-
Bruce, C.D.1
Senapati, S.2
Berkowitz, M.L.3
Perera, L.4
Forbes, M.D.E.5
Hill, C.6
Carolina, N.7
-
38
-
-
34547139785
-
A molecular dynamics study of free energy of micelle formation for sodium dodecyl sulfate in water and its size distribution
-
N. Yoshii, K. Iwahashi, S. Okazaki, A molecular dynamics study of free energy of micelle formation for sodium dodecyl sulfate in water and its size distribution, J. Chem. Phys., 124 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
-
-
Yoshii, N.1
Iwahashi, K.2
Okazaki, S.3
-
39
-
-
38149082329
-
A molecular dynamics study of structure and dynamics of surfactant molecules in SDS spherical micelle
-
Yoshii N., Okazaki S. A molecular dynamics study of structure and dynamics of surfactant molecules in SDS spherical micelle. Cond. Matt. Phys. 2007, 10:573-578.
-
(2007)
Cond. Matt. Phys.
, vol.10
, pp. 573-578
-
-
Yoshii, N.1
Okazaki, S.2
-
40
-
-
33847706584
-
Free energy of water permeation into hydrophobic core of sodium dodecyl sulfate micelle by molecular dynamics calculation
-
Yoshii N., Okazaki S. Free energy of water permeation into hydrophobic core of sodium dodecyl sulfate micelle by molecular dynamics calculation. J. Chem. Phys. 2007, 126. 096101-096101.
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 096101
-
-
Yoshii, N.1
Okazaki, S.2
-
41
-
-
46949106901
-
Molecular dynamics simulation of interactions between a sodium dodecyl sulfate micelle and a poly(ethylene oxide) polymer
-
Shang B.Z., Wang Z., Larson R.G. Molecular dynamics simulation of interactions between a sodium dodecyl sulfate micelle and a poly(ethylene oxide) polymer. J. Phys. Chem. B 2008, 112:2888-2900.
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 2888-2900
-
-
Shang, B.Z.1
Wang, Z.2
Larson, R.G.3
-
42
-
-
71749102182
-
A coarse-grained molecular dynamics simulation of a sodium dodecyl sulfate micelle in aqueous solution
-
Jalili S., Akhavan M. A coarse-grained molecular dynamics simulation of a sodium dodecyl sulfate micelle in aqueous solution. Colloid. Surface. A: Physicochem. Eng. Asp. 2009, 352:99-102.
-
(2009)
Colloid. Surface. A: Physicochem. Eng. Asp.
, vol.352
, pp. 99-102
-
-
Jalili, S.1
Akhavan, M.2
-
43
-
-
84855598709
-
A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles
-
Palazzesi F., Calvaresi M., Zerbetto F. A molecular dynamics investigation of structure and dynamics of SDS and SDBS micelles. Soft Matter 2011, 7. 9148-9148.
-
(2011)
Soft Matter
, vol.7
, pp. 9148
-
-
Palazzesi, F.1
Calvaresi, M.2
Zerbetto, F.3
-
44
-
-
84884260474
-
Molecular dynamics simulation of SDS and CTAB micellization and prediction of partition equilibria with COSMOmic
-
Storm S., Jakobtorweihen S., Smirnova I., Panagiotopoulos A.Z. Molecular dynamics simulation of SDS and CTAB micellization and prediction of partition equilibria with COSMOmic. Langmuir 2013, 29:11582-11592.
-
(2013)
Langmuir
, vol.29
, pp. 11582-11592
-
-
Storm, S.1
Jakobtorweihen, S.2
Smirnova, I.3
Panagiotopoulos, A.Z.4
-
45
-
-
84898478459
-
Molecular dynamics simulations of sodium dodecyl sulfate micelles in water-the effect of the force field
-
Tang X., Koenig P.H., Larson R.G. Molecular dynamics simulations of sodium dodecyl sulfate micelles in water-the effect of the force field. J. Phys. Chem. B 2014, 118:3864-3880.
-
(2014)
J. Phys. Chem. B
, vol.118
, pp. 3864-3880
-
-
Tang, X.1
Koenig, P.H.2
Larson, R.G.3
-
46
-
-
35548978403
-
Molecular dynamics simulation of a micellar system
-
Bast T., Hentschke R. Molecular dynamics simulation of a micellar system. J. Mol. Model. 1996, 2:330-340.
-
(1996)
J. Mol. Model.
, vol.2
, pp. 330-340
-
-
Bast, T.1
Hentschke, R.2
-
47
-
-
0034499269
-
Molecular dynamics simulation of the kinetics of spontaneous micelle formation
-
Marrink S.J., Tieleman D.P., Mark A.E. Molecular dynamics simulation of the kinetics of spontaneous micelle formation. J. Phys. Chem. B 2000, 104:12165-12173.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 12165-12173
-
-
Marrink, S.J.1
Tieleman, D.P.2
Mark, A.E.3
-
48
-
-
0036138028
-
Evaluation of a fast implicit solvent model for molecular dynamics simulations
-
Ferrara P., Apostolakis J., Caflisch A. Evaluation of a fast implicit solvent model for molecular dynamics simulations. Proteins 2002, 46:24-33.
-
(2002)
Proteins
, vol.46
, pp. 24-33
-
-
Ferrara, P.1
Apostolakis, J.2
Caflisch, A.3
-
49
-
-
10944225431
-
Molecular modeling and simulations of AOT-water reverse micelles in isooctane: structural and dynamic properties
-
Abel S., Sterpone F., Bandyopadhyay S., Marchi M. Molecular modeling and simulations of AOT-water reverse micelles in isooctane: structural and dynamic properties. J. Phys. Chem. B 2004, 108:19458-19466.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 19458-19466
-
-
Abel, S.1
Sterpone, F.2
Bandyopadhyay, S.3
Marchi, M.4
-
50
-
-
2442624548
-
Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution: comparison of force field parameters and molecular topology effects on the micellar structure
-
Moura A.F.d., Freitas L.C.G. Molecular dynamics simulation of the sodium octanoate micelle in aqueous solution: comparison of force field parameters and molecular topology effects on the micellar structure. Braz. J. Phys. 2004, 34:64-72.
-
(2004)
Braz. J. Phys.
, vol.34
, pp. 64-72
-
-
Moura, A.1
Freitas, L.C.G.2
-
51
-
-
33747879961
-
Molecular dynamics characterization of n-octyl-beta-D-glucopyranoside micelle structure in aqueous solution
-
Konidala P., He L., Niemeyer B. Molecular dynamics characterization of n-octyl-beta-D-glucopyranoside micelle structure in aqueous solution. J. Mol. Graph. Model. 2006, 25:77-86.
-
(2006)
J. Mol. Graph. Model.
, vol.25
, pp. 77-86
-
-
Konidala, P.1
He, L.2
Niemeyer, B.3
-
52
-
-
58149247956
-
Molecular dynamics simulations of AOT-water/formamide reverse micelles: structural and dynamical properties
-
Pomata M.H.H., Laria D., Skaf M.S., Elola M.D. Molecular dynamics simulations of AOT-water/formamide reverse micelles: structural and dynamical properties. J. Chem. Phys. 2008, 129. 244503-244503.
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 244503
-
-
Pomata, M.H.H.1
Laria, D.2
Skaf, M.S.3
Elola, M.D.4
-
53
-
-
66549127863
-
Shape transformations of membrane vesicles from amphiphilic triblock copolymers: a dissipative particle dynamics simulation study
-
Li X., Pivkin I.V., Liang H., Karniadakis G.E. Shape transformations of membrane vesicles from amphiphilic triblock copolymers: a dissipative particle dynamics simulation study. Macromolecules 2009, 42:3195-3200.
-
(2009)
Macromolecules
, vol.42
, pp. 3195-3200
-
-
Li, X.1
Pivkin, I.V.2
Liang, H.3
Karniadakis, G.E.4
-
54
-
-
70449553484
-
All-atom molecular dynamics study of a spherical micelle composed of N-acetylated poly(ethylene glycol)-poly(gamma-benzyl L-glutamate) block copolymers: a potential carrier of drug delivery systems for cancer
-
Kuramochi H., Andoh Y., Yoshii N., Okazaki S. All-atom molecular dynamics study of a spherical micelle composed of N-acetylated poly(ethylene glycol)-poly(gamma-benzyl L-glutamate) block copolymers: a potential carrier of drug delivery systems for cancer. J. Phys. Chem. B 2009, 113:15181-15188.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 15181-15188
-
-
Kuramochi, H.1
Andoh, Y.2
Yoshii, N.3
Okazaki, S.4
-
55
-
-
79952379774
-
Molecular dynamics simulation of a polysorbate 80 micelle in water
-
Amani A., York P., de Waard H., Anwar J. Molecular dynamics simulation of a polysorbate 80 micelle in water. Soft Matter 2011, 7. 2900-2900.
-
(2011)
Soft Matter
, vol.7
, pp. 2900
-
-
Amani, A.1
York, P.2
de Waard, H.3
Anwar, J.4
-
56
-
-
79952585497
-
Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers
-
Lee O.-S., Stupp S.I., Schatz G.C. Atomistic molecular dynamics simulations of peptide amphiphile self-assembly into cylindrical nanofibers. J. Am. Chem. Soc. 2011, 133:3677-3683.
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 3677-3683
-
-
Lee, O.-S.1
Stupp, S.I.2
Schatz, G.C.3
-
57
-
-
80053080984
-
Molecular dynamics simulations of the self-assembly of tetraphenylporphyrin-based monolayers and bilayers at a silver interface
-
Barone V., Casarin M., Forrer D., Monti S., Prampolini G. Molecular dynamics simulations of the self-assembly of tetraphenylporphyrin-based monolayers and bilayers at a silver interface. J. Phys. Chem. C 2011, 115:18434-18444.
-
(2011)
J. Phys. Chem. C
, vol.115
, pp. 18434-18444
-
-
Barone, V.1
Casarin, M.2
Forrer, D.3
Monti, S.4
Prampolini, G.5
-
58
-
-
79958817909
-
Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent model
-
Wang Y., Wallace J.a., Koenig P.H., Shen J.K. Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit-solvent model. J. Comput. Chem. 2011, 32:2348-2358.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 2348-2358
-
-
Wang, Y.1
Wallace, J.2
Koenig, P.H.3
Shen, J.K.4
-
59
-
-
84864970849
-
Molecular dynamics simulation of palmitate ester self-assembly with diclofenac
-
Karjiban R.A., Basri M., Rahman M.B.A., Salleh A.B. Molecular dynamics simulation of palmitate ester self-assembly with diclofenac. Int. J. Mol. Sci. 2012, 13:9572-9583.
-
(2012)
Int. J. Mol. Sci.
, vol.13
, pp. 9572-9583
-
-
Karjiban, R.A.1
Basri, M.2
Rahman, M.B.A.3
Salleh, A.B.4
-
60
-
-
84869064697
-
Molecular dynamics simulations of a characteristic DPC micelle in water
-
Abel S., Dupradeau F.-Y., Marchi M. Molecular dynamics simulations of a characteristic DPC micelle in water. J. Chem. Theory Comput. 2012, 8:4610-4623.
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 4610-4623
-
-
Abel, S.1
Dupradeau, F.-Y.2
Marchi, M.3
-
61
-
-
84875750240
-
Solute and solvent dynamics in confined equal-sized aqueous environments of charged and neutral reverse micelles: a combined dynamic fluorescence and all-atom molecular dynamics simulation study
-
Guchhait B., Biswas R., Ghorai P.K. Solute and solvent dynamics in confined equal-sized aqueous environments of charged and neutral reverse micelles: a combined dynamic fluorescence and all-atom molecular dynamics simulation study. J. Phys. Chem. B 2013, 117:3345-3361.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 3345-3361
-
-
Guchhait, B.1
Biswas, R.2
Ghorai, P.K.3
-
62
-
-
84883184077
-
Self-assembly of amphiphilic peptide (AF)6H5K15: coarse-grained molecular dynamics simulation
-
Thota N., Luo Z., Hu Z., Jiang J. Self-assembly of amphiphilic peptide (AF)6H5K15: coarse-grained molecular dynamics simulation. J. Phys. Chem. B 2013, 117:9690-9698.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 9690-9698
-
-
Thota, N.1
Luo, Z.2
Hu, Z.3
Jiang, J.4
-
63
-
-
84875312729
-
Prediction of micelle/water and liposome/water partition coefficients based on molecular dynamics simulations, COSMO-RS, and COSMOmic
-
Ingram T., Storm S., Kloss L., Mehling T., Jakobtorweihen S., Smirnova I. Prediction of micelle/water and liposome/water partition coefficients based on molecular dynamics simulations, COSMO-RS, and COSMOmic. Langmuir 2013, 29:3527-3537.
-
(2013)
Langmuir
, vol.29
, pp. 3527-3537
-
-
Ingram, T.1
Storm, S.2
Kloss, L.3
Mehling, T.4
Jakobtorweihen, S.5
Smirnova, I.6
-
64
-
-
84879333533
-
Aggregation thermodynamics of sodium octanoate micelles studied by means of molecular dynamics simulations
-
Bernardino K., de Moura A.F. Aggregation thermodynamics of sodium octanoate micelles studied by means of molecular dynamics simulations. J. Phys. Chem. B 2013, 117:7324-7334.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 7324-7334
-
-
Bernardino, K.1
de Moura, A.F.2
-
65
-
-
84901056127
-
Molecular simulation of the transport of drugs across model membranes
-
Loverde S.M. Molecular simulation of the transport of drugs across model membranes. J. Phys. Chem. Lett. 2014, 5:1659-1665.
-
(2014)
J. Phys. Chem. Lett.
, vol.5
, pp. 1659-1665
-
-
Loverde, S.M.1
-
66
-
-
84901039111
-
PH-dependent self-assembly of EAK16 peptides in the presence of a hydrophobic surface: Coarse-grained molecular dynamics simulation
-
Emamyari S., Fazli H. pH-dependent self-assembly of EAK16 peptides in the presence of a hydrophobic surface: Coarse-grained molecular dynamics simulation. Soft Matter 2014, 10:4248-4257.
-
(2014)
Soft Matter
, vol.10
, pp. 4248-4257
-
-
Emamyari, S.1
Fazli, H.2
-
67
-
-
84986512474
-
Charmm-a program for macromolecular energy, minimization, and dynamics calculations
-
Brooks B.R., Bruccoleri R.E., Olafson B.D., States D.J., Swaminathan S., Karplus M. Charmm-a program for macromolecular energy, minimization, and dynamics calculations. J. Comput. Chem. 1983, 4:187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
68
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen W.L., Chandrasekhar J., Madura J.D., Impey R.W., Klein M.L. Comparison of simple potential functions for simulating liquid water. J. Chem. Phys. 1983, 79:926-935.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
69
-
-
84925621820
-
-
AMBER 6, UniVersity of California, San Francisco
-
D.A.P. Case, D.A. Caldwell, J.W. Cheatham, T.E., III; Ross, W.S. Simmerling, C.L. Darden, T.A. Merz, K.M. Stanton, R.V. Cheng, A.L. Vincent, J.J. Crowley, M. Tsui, V. Radmer, R.J. Duan, Y. Pitera, J. Massova, I. Seibel, G.L. Singh, U.C. Weiner, P.K. Kollman, P.A. AMBER 6, UniVersity of California, San Francisco, 1999.
-
(1999)
-
-
Case, D.A.P.1
Caldwell, D.A.2
Cheatham, J.W.3
Ross, T.E.4
Simmerling, W.S.5
Darden, C.L.6
Merz, T.A.7
Stanton, K.M.8
Cheng, R.V.9
Vincent, A.L.10
Crowley, J.J.11
Tsui, M.12
Radmer, V.13
Duan, R.J.14
Pitera, Y.15
Massova, J.16
Seibel, I.17
Singh, G.L.18
Weiner, U.C.19
Kollman, P.K.20
more..
-
70
-
-
34547474332
-
The MARTINI force field: coarse grained model for biomolecular simulations
-
Marrink S.J., Risselada H.J., Yefimov S., Tieleman D.P., de Vries A.H. The MARTINI force field: coarse grained model for biomolecular simulations. J. Phys. Chem. B 2007, 111:7812-7824.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 7812-7824
-
-
Marrink, S.J.1
Risselada, H.J.2
Yefimov, S.3
Tieleman, D.P.4
de Vries, A.H.5
-
71
-
-
9144240095
-
DREIDING: a generic force field for molecular simulations
-
Mayo S.L., Olafson B.D., Goddard W.A. DREIDING: a generic force field for molecular simulations. J. Phys. Chem. 1990, 94:8897-8909.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 8897-8909
-
-
Mayo, S.L.1
Olafson, B.D.2
Goddard, W.A.3
-
72
-
-
11644266970
-
Electronic population analysis on LCAO-MO molecular Wave Functions. I
-
Mulliken R.S. Electronic population analysis on LCAO-MO molecular Wave Functions. I. J. Chem. Phys. 1955, 23:1833-1840.
-
(1955)
J. Chem. Phys.
, vol.23
, pp. 1833-1840
-
-
Mulliken, R.S.1
-
73
-
-
84881333445
-
Jaguar A high-performance quantum chemistry software program with strengths in life and materials sciences
-
Bochevarov A.D., Harder E., Hughes T.F., Greenwood J.R., Braden D.A., Philipp D.M., Rinaldo D., Halls M.D., Zhang J., Friesner R.A. Jaguar A high-performance quantum chemistry software program with strengths in life and materials sciences. Int. J. Quantum Chem. 2013, 113:2110-2142.
-
(2013)
Int. J. Quantum Chem.
, vol.113
, pp. 2110-2142
-
-
Bochevarov, A.D.1
Harder, E.2
Hughes, T.F.3
Greenwood, J.R.4
Braden, D.A.5
Philipp, D.M.6
Rinaldo, D.7
Halls, M.D.8
Zhang, J.9
Friesner, R.A.10
-
74
-
-
0000125216
-
Calibration and testing of a water model for simulation of the molecular dynamics of proteins and nucleic acids in solution
-
Levitt M., Hirshberg M., Sharon R., Laidig K.E., Daggett V. Calibration and testing of a water model for simulation of the molecular dynamics of proteins and nucleic acids in solution. J. Phys. Chem. B 1997, 101:5051-5061.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 5051-5061
-
-
Levitt, M.1
Hirshberg, M.2
Sharon, R.3
Laidig, K.E.4
Daggett, V.5
-
75
-
-
34547809547
-
A unified formulation of the constant temperature molecular dynamics methods
-
Nosé S. A unified formulation of the constant temperature molecular dynamics methods. J. Chem. Phys. 1984, 81:511-519.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 511-519
-
-
Nosé, S.1
-
76
-
-
0001538909
-
Canonical dynamics: equilibrium phase-space distributions
-
Hoover W.G. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 1985, 31:1695-1697.
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695-1697
-
-
Hoover, W.G.1
-
78
-
-
36749110571
-
A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: application to small water clusters
-
Swope W.C., Andersen H.C., Berens P.H., Wilson K.R. A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: application to small water clusters. J. Chem. Phys. 1982, 76:637-649.
-
(1982)
J. Chem. Phys.
, vol.76
, pp. 637-649
-
-
Swope, W.C.1
Andersen, H.C.2
Berens, P.H.3
Wilson, K.R.4
-
79
-
-
0002467378
-
Fast parallel algorithms for short-range molecular dynamics
-
Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 1995, 117:1-19.
-
(1995)
J. Comput. Phys.
, vol.117
, pp. 1-19
-
-
Plimpton, S.1
-
80
-
-
49549109406
-
Radius of gyration as an indicator of protein structure compactness
-
Lobanov M.Y., Bogatyreva N.S., Galzitskaya O.V. Radius of gyration as an indicator of protein structure compactness. Mol. Biol. 2008, 42:623-628.
-
(2008)
Mol. Biol.
, vol.42
, pp. 623-628
-
-
Lobanov, M.Y.1
Bogatyreva, N.S.2
Galzitskaya, O.V.3
-
81
-
-
4143087050
-
Calculating potentials of mean force from steered molecular dynamics simulations
-
Park S., Schulten K. Calculating potentials of mean force from steered molecular dynamics simulations. J. Chem. Phys. 2004, 120:5946-5961.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 5946-5961
-
-
Park, S.1
Schulten, K.2
-
82
-
-
0033718963
-
Molecular dynamics simulations of octyl glucoside micelles: structural properties
-
Bogusz S., Venable R.M., Pastor R.W. Molecular dynamics simulations of octyl glucoside micelles: structural properties. J. Phys. Chem. B 2000, 104:5462-5470.
-
(2000)
J. Phys. Chem. B
, vol.104
, pp. 5462-5470
-
-
Bogusz, S.1
Venable, R.M.2
Pastor, R.W.3
-
83
-
-
84925676627
-
-
Release 4.0, Accelrys Inc., San Diego
-
Cerius2 Modeling Environment, Release 4.0, Accelrys Inc., San Diego, 1999.
-
(1999)
-
-
|