(33) Linse, P (34) Faeder (35) Faeder In Biological Membranes: A Molecular PerspectiVe from Computation and Experiment, 30) Levinger, N. Science36) Pileni, M. Structure and reactiVity in reVerse micelles44) Marchi, M.; Procacci45) Tuckerman, M. E, pp.502-3273, 1979. ,
(58) For sampling reasons, the density at less than 3 Å from the origin is affected by a statistical error of more than 20%, pp.10902-10907, 2002. ,
Molecular Modeling and Simulations of AOT???Water Reverse Micelles in Isooctane:?? Structural and Dynamic Properties, The Journal of Physical Chemistry B, vol.108, issue.50, pp.19458-19466, 2004. ,
DOI : 10.1021/jp047138e
? Commissariat a ` l'Energie Atomique. ? Laboratoire d'Imagerie Paramétrique ,
Formation of vesicles and microemulsions in a water/tetraethylene glycol dodecyl ether/dodecane system, Langmuir, vol.7, issue.9, pp.1915-1919, 1991. ,
DOI : 10.1021/la00057a016
(3) Olsson, U.; Würz, U.; Strey, R. Cylinders and Bilayers in Ternary Nonionic Surfactant System Change of the structure of microemulsions with the hydrophile-lipophile balance of nonionic surfactant as revealed by NMR self-diffusion studies, Mesophase structures and partial miscibility, pp.975-1000, 1983. ,
Small-Angle X-ray Scattering Studies on Nonionic Microemulsions Effect of the temperature on the aggregation behaviour of nonionic surfactant in aqueous solution Solubilization of Water in Alkanes Using Nonionic Surfactants Solution Behavior Of Aerosol Ot In Nonpolar- Solvents, Structure and Dynamics of Nonionic Polyoxyethylenic Reverse Micelles by Time-Resolved Fluorescence Quenching10) Tasaki, K.; Abe, A. NMR studies and conformational energy calculations of 1, pp.4125-953, 1985. ,
Solubilized states of water and formation of reversed micelles in polyoxyethylated nonylphenyl ethers in cyclohexane media, Colloid & Polymer Science, vol.80, issue.2 ,
DOI : 10.1007/BF00654018
(13) Pant, D.; Levinger, N. E. Polar Solvation Dynamics in Nonionic Reverse Micelles and Model Polymer Solutions, 14) Qi, L. M.; Ma, J. M. Investigation of the microenvironment in nonionic reverse micelles using methyl orange and methylene blue as absorption probes, pp.98-5320, 1994. ,
Water Confined in Reverse Micelles: Acoustic and Densimetric Studies ,
Monte Carlo Simulation Study of Short Poly(ethylene oxide) Chains at Different Concentrations Molecular dynamics computer simulations of surfactant monolayers: Monododecyl pentaethylene glycol at the surface between air and water Molecular Dynamics Study of a Surfactant Monolayer Adsorbed at the Air/Water Interface Molecular dynamics study of the poly(oxyethylene) surfactant C12E2 and water Molecular Dynamics Study of Spherical Aggregates of Chain Molecules at Different Degrees of Hydrophilicity in Water Solution Molecular Dynamics Study of Temperature Dehydration of a C12E6 Spherical Micelle Molecular dynamics simulation of C8E5 micelle in explicit water: structure and hydrophobic solvation thermodynamics Conformational Analyses of Model Compounds of Nonionic Surfactants in Aqueous Solution: Raman Spectroscopy and ab initio MO Calculations Conformational studies of ethylene glycol and its two ether derivatives II. A nuclear magnetic resonance study of 3-methoxyethanol and 1,2-dimethoxyethane Conformational analysis of poly(oxyethylene) chain in aqueous solution as a hydrophilic moiety of nonionic surfactants Molecular Modeling and Simulations of AOT-Water Reverse Micelles in Isooctane: Structural and Dynamic Properties Molecular dynamics simulations of a calcium carbonate calcium sulfonate reverse micelle, Water Interactions: A Molecular Dynamics Study. J. Am. Chem. Soc28) Faeder30) Senapati, S.; Berkowitz, M. L. Molecular Dynamics Simulation Studies of Polyether and Perfluoropolyether Surfactant Based Reverse Micelles in Supercritical Carbon Dioxide31) Senapati, S.; Berkowitz, M. L. Water structure and dynamics in phosphate fluorosurfactant based reverse micelle: A computer simulation study. J. Chem, pp.10751-10756, 1974. ,
Self-Assembly of Reverse Micelles in Water/Surfactant/Carbon Dioxide Systems by Molecular Simulation, Langmuir, vol.15, issue.16, pp.1937-1944, 1999. ,
DOI : 10.1021/la9904556
Xylene Mixtures: A Spin Probe Study Quantum Chemical Study of the Interaction of the Short-Chain Poly(oxyethylene)s CH3(OCH2CH2)- mOCH3(C1EmC.; m ) 1 and 2) with a Water Molecule in the Gas Phase and in Solutions Structure and hydrogen bond dynamics of waterdimethyl sulfoxide mixtures by computer simulations Diffusion in inhomogeneous and anisotropic media (55) Bagchi, B. Water dynamics in the hydration layer around proteins and micelles Water Rotational Relaxation and Diffusion in Hydrated Lysozyme, Reverse Micelles of the Triblock Copolymer EO 13PO30EO13 in Water57) Correa, N. M.; Biasutti, M. A.; Silber, J. J. Micropolarity or Reversed Micelles: Comparison between Anionic, cationic, and Nonionic Reversed Micelles, pp.2923-2933, 1993. ,
Kon No, K. Solubilized states of water and formation of reversed micelles in polyoxyethylated nonylphenyl ethers in cyclohexane media, J. Colloid Interface Sci, vol.184, issue.2, pp.570-578, 1996. ,
(59) DeLano, W. L. The PyMOL Molecular Graphics System, ver. 0.99; DeLano Scientific, pp.195-199, 1995. ,
Molecular Modeling and Simulations of AOT???Water Reverse Micelles in Isooctane:?? Structural and Dynamic Properties, The Journal of Physical Chemistry B, vol.108, issue.50, pp.50-19458, 2004. ,
DOI : 10.1021/jp047138e
Structure, Stability, and Hydration of a Polypeptide in AOT Reverse Micelles, Journal of the American Chemical Society, vol.128, issue.2, pp.382-385, 2006. ,
DOI : 10.1021/ja053043u
Effect of Surfactant Conformation on the Structures of Small Size Nonionic Reverse Micelles:?? A Molecular Dynamics Simulation Study, Langmuir, vol.22, issue.22, pp.22-9112, 2006. ,
DOI : 10.1021/la060978v
Investigation of Hydrophobic Interactions in Colloidal and Biological Systems by Molecular Dynamics Simulations and NMR Spectroscopy, Langmuir, vol.13, issue.7, pp.2007-2025, 1997. ,
DOI : 10.1021/la961070f
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms, Journal of the American Chemical Society, vol.99, issue.25, pp.8127-8161, 1977. ,
DOI : 10.1021/ja00467a001
Water Confined in Reverse Micelles:?? Acoustic and Densimetric Studies, The Journal of Physical Chemistry B, vol.101, issue.50, pp.10751-10757, 1997. ,
DOI : 10.1021/jp972718f
Adiabatic compressibility of AOT [sodium bis(2-ethylhexyl)sulfosuccinate] reverse micelles:??????Analysis of a simple model based on micellar size and volumetric measurements, Physical Review E, vol.61, issue.1, pp.61-682, 2000. ,
DOI : 10.1103/PhysRevE.61.682
-Alkanes at 298.15 K, Bulletin of the Chemical Society of Japan, vol.72, issue.6, pp.1187-95, 1999. ,
DOI : 10.1246/bcsj.72.1187
Molecular dynamics simulations at constant pressure and/or temperature, The Journal of Chemical Physics, vol.72, issue.4, pp.2384-93, 1980. ,
DOI : 10.1063/1.439486
Droplet polydispersity and shape fluctuations in AOT [bis(2-ethylhexyl)sulfosuccinate sodium salt] microemulsions studied by contrast variation small-angle neutron scattering, Physical Review E, vol.63, issue.6, pp.6-1406, 2001. ,
DOI : 10.1103/PhysRevE.63.061406
Solid State Physics Saunders College, 1976. ,
and Water, Langmuir, vol.16, issue.3, pp.942-948, 2000. ,
DOI : 10.1021/la9909493
When Is Water Not Water? Exploring Water Confined in Large Reverse Micelles Using a Highly Charged Inorganic Molecular Probe, Journal of the American Chemical Society, vol.128, issue.39, pp.39-12758, 2006. ,
DOI : 10.1021/ja0624319
Intermolecular Forces, 1981. ,
Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics, vol.81, issue.8, pp.3684-90, 1984. ,
DOI : 10.1063/1.448118
Characterization of reverse micelles by dynamic light scattering, Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol.178, issue.1-3, pp.1-3, 2001. ,
DOI : 10.1016/S0927-7757(00)00736-6
Direct Observation of Terahertz Surface Modes in Nanometer-Sized Liquid Water Pools, Physical Review Letters, vol.87, issue.14, p.147, 2001. ,
DOI : 10.1103/PhysRevLett.87.147401
Cytochrome c in sodium bis(2-ethylhexyl) sulfosuccinate reverse micelles: structure and reactivity, The Journal of Physical Chemistry, vol.92, issue.12, pp.12-3505, 1988. ,
DOI : 10.1021/j100323a037
Molecular dynamics simulation of AOT reverse micelles, Molecular Physics, vol.126, issue.22-24, pp.22-24, 2006. ,
DOI : 10.1016/j.cplett.2005.04.012
Molecular dynamics simulation of a model reverse micelle, The Journal of Physical Chemistry, vol.92, issue.10, pp.2881-2889, 1988. ,
DOI : 10.1021/j100321a036
Etude d'un systeme micellaire de type inverse par diffusion centrale des neutrons, Journal of Applied Crystallography, vol.12, issue.6, pp.502-512, 1979. ,
DOI : 10.1107/S0021889879013170
Structure of the Polar Core in Reverse Micelles of Nonionic Poly(oxyethylene) Surfactants, As Studied by Spin Probe and Fluorescence Probe Techniques, The Journal of Physical Chemistry, vol.98, issue.20, pp.20-5320, 1994. ,
DOI : 10.1021/j100071a024
Hydration and Dynamics in Reverse Micelles of the Triblock Copolymer EO 13 PO 30 EO 13 in Water-Xylene Mixtures: A Spin Probe Study, Macromolecules, vol.30, pp.10-2923, 1997. ,
The Amber biomolecular simulation programs, Journal of Computational Chemistry, vol.124, issue.16, pp.16-1668, 2005. ,
DOI : 10.1002/jcc.20290
Molecular Dynamics Study of a Surfactant Monolayer Adsorbed at the Air/Water Interface, Journal of Chemical Theory and Computation, vol.1, issue.5, pp.963-71, 2005. ,
DOI : 10.1021/ct050019y
Monolayer of Aerosol-OT Surfactants Adsorbed at the Air/Water Interface: An Atomistic Computer Simulation Study, The Journal of Physical Chemistry B, vol.109, issue.1, pp.471-480, 2005. ,
DOI : 10.1021/jp0482924
Proteins in membrane mimetic systems. Insertion of myelin basic protein into microemulsion droplets, Biophysical Journal, vol.48, issue.6, pp.893-901, 1985. ,
DOI : 10.1016/S0006-3495(85)83851-0
Surface topography dependence of biomolecular hydrophobic hydration Nature, pp.696-705, 1998. ,
Protein Misfolding, Functional Amyloid, and Human Disease, Annual Review of Biochemistry, vol.75, issue.1, pp.333-66, 2006. ,
DOI : 10.1146/annurev.biochem.75.101304.123901
Optical Contrast Variation Experiments in Water-in-Oil Microemulsions: Size Distribution and Structure of Protein-Free and Protein-Containing Microemulsions, The Journal of Physical Chemistry, vol.98, issue.48, pp.48-12708, 1994. ,
DOI : 10.1021/j100099a039
P-p-T Data of Liquids: Summerization of Evaluation.6.Non Aromatic Hydrocarbons Cn, n > 5 except n-alkanes C5 to C16, J. Chem. Eng. Data, issue.6, pp.44-1105, 1999. ,
Molecular dynamics simulation of rigid molecules, Computer Physics Reports, vol.4, issue.6, pp.345-92, 1986. ,
DOI : 10.1016/0167-7977(86)90022-5
Molecular dynamics simulation of rigid molecules, Computer Physics Reports, vol.4, issue.6, pp.345-92, 1986. ,
DOI : 10.1016/0167-7977(86)90022-5
Micropolarity of Reversed Micelles: Comparison between Anionic, Cationic, and Nonionic Reversed Micelles, Journal of Colloid and Interface Science, vol.184, issue.2, pp.570-578, 1996. ,
DOI : 10.1006/jcis.1996.0653
Decomposition of Protein Experimental Compressibility into Intrinsic and Hydration Shell Contributions, Biophysical Journal, vol.91, issue.12, pp.12-4544, 2006. ,
DOI : 10.1529/biophysj.106.087726
Soft Matter Physics, 1999. ,
DOI : 10.1007/978-3-662-03845-1
URL : https://hal.archives-ouvertes.fr/hal-00121122
) method for Ewald sums in large systems, The Journal of Chemical Physics, vol.98, issue.12, pp.12-10089, 1993. ,
DOI : 10.1063/1.464397
Solution behaviour of Aerosol OT in non-polar solvents, Advances in Colloid and Interface Science, vol.59, pp.95-193, 1995. ,
DOI : 10.1016/0001-8686(95)80005-N
Variation of surfactant counterion and its effect on the structure and properties of Aerosol-OT-based water-in-oil microemulsions, Journal of the Chemical Society, Faraday Transactions, vol.88, issue.3, pp.461-71, 1992. ,
DOI : 10.1039/ft9928800461
Structural studies of microemulsions stabilised by aerosol-OT, Advances in Colloid and Interface Science, vol.36, pp.1-31, 1991. ,
DOI : 10.1016/0001-8686(91)80027-H
Molecular confinement influences protein structure and enhances thermal protein stability, Protein Science, vol.10, issue.2, pp.250-61, 2001. ,
DOI : 10.1110/ps.36201
Reverse Micelles and Aqueous Microphases, pp.21-36, 1982. ,
DOI : 10.1007/978-1-4757-6424-6_2
On the Formation of Water/Oil-Microemulsions, Helvetica Chimica Acta, vol.46, issue.8, p.pp, 1976. ,
DOI : 10.1002/hlca.19760590825
Unfolding and Refolding of Bovine Serum Albumin at Acid pH: Ultrasound and Structural Studies, Biophysical Journal, vol.91, issue.9, pp.3397-404, 2006. ,
DOI : 10.1529/biophysj.106.088963
Brownian dynamics with hydrodynamic interactions, The Journal of Chemical Physics, vol.69, issue.4, pp.1352-60, 1978. ,
DOI : 10.1063/1.436761
A smooth particle mesh Ewald method, The Journal of Chemical Physics, vol.103, issue.19, pp.8577-94, 1995. ,
DOI : 10.1063/1.470117
Molecular Dynamics Simulations of the Interior of Aqueous Reverse Micelles:?? A Comparison between Sodium and Potassium Counterions, Langmuir, vol.19, issue.6, pp.2514-2534, 2003. ,
DOI : 10.1021/la026755w
Molecular Dynamics Simulations of the Interior of Aqueous Reverse Micelles, The Journal of Physical Chemistry B, vol.104, issue.5, pp.1033-1079, 2000. ,
DOI : 10.1021/jp993076u
The use of acridine orange base (AOB) as molecular probe to characterize nonaqueous AOT reverse micelles, Journal of Colloid and Interface Science, vol.296, issue.1, pp.356-64, 2006. ,
DOI : 10.1016/j.jcis.2005.08.049
Membrane Mimetic Chemistry, Chemical & Engineering News, vol.62, issue.1, 1982. ,
DOI : 10.1021/cen-v062n001.p025
Volume occupation, environment and accessibility in proteins. The problem of the protein surface, Journal of Molecular Biology, vol.96, issue.4, pp.721-753, 1975. ,
DOI : 10.1016/0022-2836(75)90148-5
Molecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus, Structure, vol.14, issue.3, pp.437-486, 2006. ,
DOI : 10.1016/j.str.2005.11.014
Microemulsions containing nonionic surfactants???The importance of the pit value, Journal of Colloid and Interface Science, vol.56, issue.1, pp.19-32, 1976. ,
DOI : 10.1016/0021-9797(76)90142-9
Conformational aspects and rotational dynamics of synthetic adrenocorticotropin-(1-24) and glucagon in reverse micelles, Biochemistry, vol.26, issue.18, pp.18-5738, 1987. ,
DOI : 10.1021/bi00392a024
Hybrid Quantum and Molecular Mechanical Simulations:?? An Alternative Avenue to Solvent Effects in Organic Chemistry, Accounts of Chemical Research, vol.29, issue.6, pp.298-305, 1996. ,
DOI : 10.1021/ar950140r
??-Helical stabilization by side chain shielding of backbone hydrogen bonds, Proc. of the National Academy of Sciences of the United States of America, pp.2782-2789, 2002. ,
DOI : 10.1073/pnas.042496899
Molecular dynamics simulation of C8E5 micelle in explicit water: structure and hydrophobic solvation thermodynamics, Mol. Phys, vol.100, pp.14-2299, 2002. ,
The Volume of Atoms on the Protein Surface: Calculated from Simulation, using Voronoi Polyhedra, Journal of Molecular Biology, vol.249, issue.5, pp.955-66, 1995. ,
DOI : 10.1006/jmbi.1995.0351
Microemulsions: A Potential Drug Delivery System, Current Drug Delivery, vol.3, issue.2, pp.167-80, 2006. ,
DOI : 10.2174/156720106776359168
Role of Backbone Hydration and Salt-Bridge Formation in Stability of ??-Helix in Solution, Biophysical Journal, vol.85, issue.5, pp.3187-93, 2003. ,
DOI : 10.1016/S0006-3495(03)74736-5
Classification of Surface-Active Agents by HLB, Journal of the Society of Cosmetic Chemists, vol.1, p.311, 1949. ,
Calculation of HLB Values of Non-Ionic Surfactants, Journal of the Society of Cosmetic Chemists, vol.5, p.249, 1954. ,
Polarizable force fields, Current Opinion in Structural Biology, vol.11, issue.2, pp.236-278, 2001. ,
DOI : 10.1016/S0959-440X(00)00196-2
Water motion in reverse micelles studied by quasielastic neutron scattering and molecular dynamics simulations, The Journal of Chemical Physics, vol.121, issue.16, pp.16-7855, 2004. ,
DOI : 10.1063/1.1792592
Interaction of water with sodium bis(2-ethyl-1-hexyl) sulfosuccinate in reversed micelles, The Journal of Physical Chemistry, vol.93, issue.23, pp.23-7869, 1989. ,
DOI : 10.1021/j100360a029
Abstract, Zeitschrift f??r Naturforschung C, vol.28, issue.11-12, pp.693-703, 1973. ,
DOI : 10.1515/znc-1973-11-1209
Dynamics of w/o AOT microemulsions studied by neutron spin echo, Journal of Physics and Chemistry of Solids, vol.60, issue.8-9, pp.8-9, 1999. ,
DOI : 10.1016/S0022-3697(99)00113-4
Characteristics of AOT Microemulsion Structure Depending on Apolar Solvents, The Journal of Physical Chemistry B, vol.103, issue.44, pp.44-9658, 1999. ,
DOI : 10.1021/jp991899d
Transparent Water-in-Oil Dispersions: the Oleopathic Hydro-Micelle, Nature, vol.152, issue.3847, pp.102-105, 1943. ,
DOI : 10.1038/152102a0
The potential calculation and some applications Methods in Computational Chemistry, pp.136-211, 1970. ,
Computer Simulation Using Particles, 1989. ,
Canonical dynamics: Equilibrium phase-space distributions, Physical Review A, vol.31, issue.3, pp.1695-1702, 1985. ,
DOI : 10.1103/PhysRevA.31.1695
A light scattering study on the droplet size and interdroplet interaction in microemulsions of AOT???oil???water system, Journal of Colloid and Interface Science, vol.123, issue.2, pp.398-412, 1988. ,
DOI : 10.1016/0021-9797(88)90261-5
Thermostat Algorithms for Molecular Dynamics Simulations, Adv. Polymer. Sci, vol.173, pp.105-154, 2005. ,
DOI : 10.1007/b99427
The Language of Shape, 1997. ,
The science and applications of emulsions ??? an overview, Colloids and Surfaces A: Physicochemical and Engineering Aspects, vol.91, pp.1-8, 1994. ,
DOI : 10.1016/0927-7757(94)02743-9
Theory of self-assembly of hydrocarbon amphiphiles into micelles and bilayers, Journal of the Chemical Society, Faraday Transactions 2, vol.72, pp.72-1525, 1976. ,
DOI : 10.1039/f29767201525
Structural studies of Aerosol OT reverse micellar aggregates by FT-IR spectroscopy, The Journal of Physical Chemistry, vol.93, issue.21, pp.7409-7425, 1989. ,
DOI : 10.1021/j100358a032
Comparison of simple potential functions for simulating liquid water, The Journal of Chemical Physics, vol.79, issue.2, pp.926-961, 1983. ,
DOI : 10.1063/1.445869
Macroemulsion Stability:?? The Oriented Wedge Theory Revisited, Langmuir, vol.12, issue.2, pp.276-92, 1996. ,
DOI : 10.1021/la950359e
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features, Biopolymers, vol.33, issue.12, pp.2577-637, 1983. ,
DOI : 10.1002/bip.360221211
Ultrasonic Studies of Alcohol-Induced Transconformation in ??-Lactoglobulin: The Intermediate State, Biophysical Journal, vol.85, issue.6, pp.3928-3934, 2003. ,
DOI : 10.1016/S0006-3495(03)74806-1
Solubilized states of water and formation of reversed micelles in polyoxyethylated nonylphenyl ethers in cyclohexane media, Colloid & Polymer Science, vol.80, issue.2, pp.195-204, 1995. ,
DOI : 10.1007/BF00654018
Density, thermal expansivity, and compressibility of liquid water from 0.deg. to 150.deg.. Correlations and tables for atmospheric pressure and saturation reviewed and expressed on 1968 temperature scale, Journal of Chemical & Engineering Data, vol.20, issue.1, pp.97-105, 1975. ,
DOI : 10.1021/je60064a005
Partial Volumes and Compressibilities of Extended Polypeptide Chains in Aqueous Solution:?? Additivity Scheme and Implication of Protein Unfolding at Normal and High Pressure, Biochemistry, vol.36, issue.33, pp.10276-85, 1997. ,
DOI : 10.1021/bi961781c
An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer, The Journal of Physical Chemistry B, vol.109, issue.11, pp.5300-5311, 2005. ,
DOI : 10.1021/jp0468096
Temperature dependence of size and polydispersity in a three-component microemulsion by small-angle neutron scattering, The Journal of Physical Chemistry, vol.86, issue.17, pp.17-3273, 1982. ,
DOI : 10.1021/j100214a001
Structure of three-component microemulsions in the critical region determined by small-angle neutron scattering, Physical Review A, vol.29, issue.4, pp.2054-68, 1984. ,
DOI : 10.1103/PhysRevA.29.2054
Structure of AOT reversed micelles determined by small-angle neutron scattering, The Journal of Physical Chemistry, vol.89, issue.20, pp.20-4382, 1985. ,
DOI : 10.1021/j100266a046
Molecular Dynamics Computer Simulations of Surfactant Monolayers:?? Monododecyl Pentaethylene Glycol at the Surface between Air and Water, The Journal of Physical Chemistry B, vol.103, issue.40, pp.40-8493, 1999. ,
DOI : 10.1021/jp990595o
Solution behavior of aerosol ot/water/oil system, Journal of Colloid and Interface Science, vol.70, issue.3, pp.577-83, 1979. ,
DOI : 10.1016/0021-9797(79)90065-1
Structure of reversed micelles In: Structure and Reactivity in Reversed Micelles, p.13, 1989. ,
Molecular Modelling: Principles and Applications, 2001. ,
CHEMISTRY: Water in Confinement, Science, vol.298, issue.5599, pp.1722-1725, 2002. ,
DOI : 10.1126/science.1079322
A dielectric continuum model of solvation for complex solutes, Computer Physics Communications, vol.169, issue.1-3, pp.1-3, 2005. ,
DOI : 10.1016/j.cpc.2005.03.018
URL : https://hal.archives-ouvertes.fr/hal-00157407
On the Theory of Helix???Coil Transition in Polypeptides, The Journal of Chemical Physics, vol.34, issue.6, pp.1963-74, 1961. ,
DOI : 10.1063/1.1731802
Molecular dynamics study of the aqueous core of a reversed ionic micelle, The Journal of Chemical Physics, vol.90, issue.9, pp.4992-5004, 1989. ,
DOI : 10.1063/1.456568
Reverse micelles as hosts for proteins and small molecules, Biochimica et Biophysica Acta (BBA) - Reviews on Biomembranes, vol.947, issue.1, pp.947-209, 1989. ,
DOI : 10.1016/0304-4157(88)90025-1
???Water System, Langmuir, vol.16, issue.7, pp.3537-3579, 2000. ,
DOI : 10.1021/la991366w
Side chain contributions to the stability of alphahelical structure in peptides, Science, vol.250, pp.4981-669, 1990. ,
CHARMM: The Energy Function and Its Parameterization with an Overview of the Program, The Encyclopedia of Computational Chemistry), pp.271-278, 1998. ,
Determination of size parameters of water-Aerosol OT-oil reverse micelles from their nuclear magnetic resonance data, The Journal of Physical Chemistry, vol.88, issue.21, pp.5122-5127, 1984. ,
DOI : 10.1021/j150665a064
Effect of rotational isomerism on the water-solubilizing properties of Aerosol OT as studied by hydrogen-1 NMR spectroscopy, The Journal of Physical Chemistry, vol.85, issue.18, pp.18-2687, 1981. ,
DOI : 10.1021/j150618a024
Compressibility of Cavities and Biological Water from Voronoi Volumes in Hydrated Proteins, The Journal of Physical Chemistry B, vol.107, issue.27, pp.6598-602, 2003. ,
DOI : 10.1021/jp0342935
Coordinates scaling and multiple time step algorithms for simulation of solvated proteins in the NPT ensemble, The Journal of Chemical Physics, vol.109, issue.13, pp.13-5194, 1998. ,
DOI : 10.1063/1.477136
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K, The Journal of Physical Chemistry A, vol.105, issue.43, pp.43-9954, 2001. ,
DOI : 10.1021/jp003020w
Conformational analysis of poly(oxyethylene) chain in aqueous solution as a hydrophilic moiety of nonionic surfactants, Journal of Molecular Structure, vol.126, pp.251-60, 1985. ,
DOI : 10.1016/0022-2860(85)80118-6
Nonionic surfactant reverse micelles of C12E4 in dodecane: Temperature dependence of size and shape, Journal of Physical Chemistry, vol.100, pp.37-15180, 1996. ,
High-Density Hydration Layer of Lysozymes:?? Molecular Dynamics Decomposition of Solution Scattering Data, Journal of Chemical Information and Modeling, vol.45, issue.6, pp.1593-1602, 2005. ,
DOI : 10.1021/ci0502000
Equation of State Calculations by Fast Computing Machines, The Journal of Chemical Physics, vol.21, issue.6, pp.1087-1093, 1953. ,
DOI : 10.1063/1.1699114
Confinement as a determinant of macromolecular structure and reactivity, Biophysical Journal, vol.63, issue.4, pp.1090-100, 1992. ,
DOI : 10.1016/S0006-3495(92)81663-6
Micelles, vesicles and microemulsions, Journal of the Chemical Society, Faraday Transactions 2, vol.77, issue.4, pp.601-630, 1981. ,
DOI : 10.1039/f29817700601
Structure, dynamics and transport properties of microemulsions, Advances in Colloid and Interface Science, vol.78, issue.2, pp.99-195, 1998. ,
DOI : 10.1016/S0001-8686(98)00063-3
Tuning the Cooperativity of the Helix???Coil Transition by Aqueous Reverse Micelles, The Journal of Physical Chemistry B, vol.110, issue.24, pp.24-11615, 2006. ,
DOI : 10.1021/jp062362k
Physicochemical characterization of colloidal drug delivery systems such as reverse micelles, vesicles, liquid crystals and nanoparticles for topical administration, European Journal of Pharmaceutics and Biopharmaceutics, vol.58, issue.2, pp.343-56, 2004. ,
DOI : 10.1016/j.ejpb.2004.03.028
Higher order structure of proteins solubilized in AOT reverse micelles, Colloids and Surfaces B: Biointerfaces, vol.38, issue.3-4, pp.3-4, 2004. ,
DOI : 10.1016/j.colsurfb.2004.02.020
Nonionic Cosurfactants in AOT Reversed Micelles:?? Effect on Percolation, Size, and Solubilization Site, Langmuir, vol.12, issue.26, pp.26-6326, 1996. ,
DOI : 10.1021/la960687u
Proteins as Invited Guests of Reverse Micelles: Conformational Effects, Significance, Applications, Biotechnology and Genetic Engineering Reviews, vol.13, issue.1, pp.267-314, 1996. ,
DOI : 10.1080/02648725.1996.10647932
Solution structure of nonionic surfactant microemulsions from nuclear magnetic resonance self-diffusion studies, The Journal of Physical Chemistry, vol.86, issue.2, pp.271-280, 1982. ,
DOI : 10.1021/j100391a028
Effect of periodic box size on aqueous molecular dynamics simulation of a DNA dodecamer with particle-mesh Ewald method, Biophysical Journal, vol.72, issue.6, pp.2395-2402, 1997. ,
DOI : 10.1016/S0006-3495(97)78884-2
A unified formulation of the constant temperature molecular dynamics methods, The Journal of Chemical Physics, vol.81, issue.1, pp.511-520, 1984. ,
DOI : 10.1063/1.447334
On the volume of macromolecules, Biopolymers, vol.51, issue.7, pp.785-97, 1997. ,
DOI : 10.1002/(SICI)1097-0282(199706)41:7<785::AID-BIP7>3.0.CO;2-L
Polar Solvation Dynamics in Nonionic Reverse Micelles and Model Polymer Solutions Langmuir, pp.10123-10153, 2000. ,
-Tetradecane) at Several Temperatures, Journal of Chemical & Engineering Data, vol.46, issue.2, pp.46-212, 2001. ,
DOI : 10.1021/je000197a
URL : https://hal.archives-ouvertes.fr/in2p3-00656167
Polymorphic transitions in single crystals: A new molecular dynamics method, Journal of Applied Physics, vol.52, issue.12, pp.7182-90, 1981. ,
DOI : 10.1063/1.328693
Effect of Alcohols in AOT Reverse Micelles. A Heat Capacity and Light Scattering Study, The Journal of Physical Chemistry B, vol.101, issue.36, pp.7043-7049, 1997. ,
DOI : 10.1021/jp970108+
X-Ray and neutron scattering analyses of hydration shells: a molecular interpretation based on sequence predictions and modelling fits, Biophysical Chemistry, vol.93, issue.2-3, pp.2-3, 2001. ,
DOI : 10.1016/S0301-4622(01)00216-2
Forced Folding and Structural Analysis of Metastable Proteins, Journal of the American Chemical Society, vol.126, issue.31, pp.31-9498, 2004. ,
DOI : 10.1021/ja047900q
Solubilization by reverse micelles: Solute localization and structure perturbation, Chemical Physics Letters, vol.118, issue.4, pp.414-434, 1985. ,
DOI : 10.1016/0009-2614(85)85402-6
Structure and reactivity in reverse micelles, Elsevier Science B.V., Amsterdam, 1989. ,
Reverse micelles as microreactors, The Journal of Physical Chemistry, vol.97, issue.27, pp.6961-73, 1993. ,
DOI : 10.1021/j100129a008
Reverse micelles used as templates: a new understanding in nanocrystal growth, Journal of Experimental Nanoscience, vol.41, issue.1, pp.13-27, 2006. ,
DOI : 10.1021/jp022357q
Multiple time scale methods for constant pressure molecular dynamics simulations of molecular systems, Molecular Physics, vol.65, issue.2, pp.83-255, 1994. ,
DOI : 10.1063/1.458887
ORAC: A Molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions, Journal of Computational Chemistry, vol.87, issue.15, pp.15-1848, 1997. ,
DOI : 10.1002/(SICI)1096-987X(19971130)18:15<1848::AID-JCC2>3.0.CO;2-O
Multiple Time Steps Algorithms for the Atomistic Simulations of complex molecular systems NATO ASI School Advances in the Computer Simulations of Liquid Crystals, ENICE, pp.333-87, 1998. ,
A general algorithm for computing Voronoi volumes: Application to the hydrated crystal of myoglobin, International Journal of Quantum Chemistry, vol.280, issue.5, pp.1515-1543, 1992. ,
DOI : 10.1002/qua.560420525
Investigation of the Microenvironment in Nonionic Reverse Micelles Using Methyl Orange and Methylene Blue as Absorption Probes, Journal of Colloid and Interface Science, vol.197, issue.1, pp.36-42, 1998. ,
DOI : 10.1006/jcis.1997.5228
Molecular Dynamics Study of Liquid Water, The Journal of Chemical Physics, vol.55, issue.7, pp.3336-59, 1971. ,
DOI : 10.1063/1.1676585
Micellar structures of nonionic surfactants in apolar media, Journal of Colloid and Interface Science, vol.97, issue.1, pp.9-25, 1984. ,
DOI : 10.1016/0021-9797(84)90269-8
Small-angle neutron-scattering study of microemulsions stabilised by aerosol-OT. Part 1.???Solvent and concentration variation, Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, vol.80, issue.1, pp.80-93, 1984. ,
DOI : 10.1039/f19848000013
Simulating movement of tRNA into the ribosome during decoding, Proceedings of the National Academy of Sciences, vol.102, issue.44, pp.44-15854, 2005. ,
DOI : 10.1073/pnas.0503456102
Phase Diagrams for Microemulsions, Physical Review Letters, vol.50, issue.24, pp.1930-1933, 1983. ,
DOI : 10.1103/PhysRevLett.50.1930
Molecular Dynamics Simulation of Reverse Micelles in Supercritical Carbon Dioxide, Industrial & Engineering Chemistry Research, vol.39, issue.12, pp.12-4543, 2000. ,
DOI : 10.1021/ie000144m
Self-Assembly of Reverse Micelles in Water/Surfactant/Carbon Dioxide Systems by Molecular Simulation, Langmuir, vol.15, issue.16, pp.16-5188, 1999. ,
DOI : 10.1021/la9904556
Helix???coil transitions re-visited, Biophysical Chemistry, vol.101, issue.102, pp.101-102, 2002. ,
DOI : 10.1016/S0301-4622(02)00175-8
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase, Journal of Computational Chemistry, vol.81, issue.11, pp.1205-1223, 2001. ,
DOI : 10.1002/jcc.1078
The Conformation of Tetraalanine in Water Determined by Polarized Raman, FT-IR, and VCD Spectroscopy, Journal of the American Chemical Society, vol.126, issue.9, pp.2768-76, 2004. ,
DOI : 10.1021/ja039452c
Molecular Dynamics Simulation Studies of Polyether and Perfluoropolyether Surfactant Based Reverse Micelles in Supercritical Carbon Dioxide, The Journal of Physical Chemistry B, vol.107, issue.47, pp.47-12906, 2003. ,
DOI : 10.1021/jp035128s
Water structure and dynamics in phosphate fluorosurfactant based reverse micelle: A computer simulation study, The Journal of Chemical Physics, vol.118, issue.4, pp.1937-1981, 2003. ,
DOI : 10.1063/1.1531585
Structure of Phosphate Fluorosurfactant Based Reverse Micelles in Supercritical Carbon Dioxide, Langmuir, vol.18, issue.20, pp.20-7371, 2002. ,
DOI : 10.1021/la025952s
Computer simulation of surfactant solutions, Current Opinion in Colloid & Interface Science, vol.5, issue.1-2, pp.1-2, 2000. ,
DOI : 10.1016/S1359-0294(00)00042-X
Small-angle x-ray scattering studies on nonionic microemulsions, Physical Review A, vol.39, issue.8, p.4125, 1989. ,
DOI : 10.1103/PhysRevA.39.4125
Encyclopaedia of Emulsion Technology, 1983. ,
Surfactant film bending elasticity in microemulsions: Structure and droplet polydispersity, The Journal of Chemical Physics, vol.99, issue.6, pp.4759-65, 1993. ,
DOI : 10.1063/1.466024
Molecular Dynamics Study of Spherical Aggregates of Chain Molecules at Different Degrees of Hydrophilicity in Water Solution, Langmuir, vol.17, issue.16, pp.16-5103, 2001. ,
DOI : 10.1021/la000750m
Small-angle scattering studies of biological macromolecules in solution, Reports on Progress in Physics, vol.66, issue.10, pp.1735-82, 2003. ,
DOI : 10.1088/0034-4885/66/10/R05
The formation of molecular aggregation structures in ternary system: Aerosol OT/water/iso-octane, Colloid and Polymer Science, vol.46, issue.2, pp.174-182, 1980. ,
DOI : 10.1007/BF01498277
Micelle shape and size, The Journal of Physical Chemistry, vol.76, issue.21, pp.3021-3025, 1972. ,
DOI : 10.1021/j100665a018
Poly(oxyethylene)???Water Interactions:?? A Molecular Dynamics Study, Journal of the American Chemical Society, vol.118, issue.35, pp.8459-69, 1996. ,
DOI : 10.1021/ja951005c
Compressibility of protein transitions, Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology, vol.1595, issue.1-2, pp.1-2, 2002. ,
DOI : 10.1016/S0167-4838(01)00334-X
Volumetric effects of ionization of amino and carboxyl termini of ??,??-aminocarboxylic acids, Biophysical Chemistry, vol.104, issue.1, pp.21-36, 2003. ,
DOI : 10.1016/S0301-4622(02)00325-3
Conformation of a peptide solubilizate in a reversed micelle water pool, Journal of the American Chemical Society, vol.106, issue.12, pp.12-3648, 1984. ,
DOI : 10.1021/ja00324a040
Data for the Dimethyl Carbonate + Decane System, Journal of Chemical & Engineering Data, vol.49, issue.4, pp.923-930, 2004. ,
DOI : 10.1021/je0342320
Influence d'inclusions sur les paramètres elastiques de membranes non ioniques, 2000. ,
Reversible multiple time scale molecular dynamics, The Journal of Chemical Physics, vol.97, issue.3, pp.1990-2001, 1992. ,
DOI : 10.1063/1.463137
Compressibilité des milieux confinés: micelles inverses et protéines. Etude d'hydratation controlée, p.140, 2001. ,
Hydration and Protein Folding in Water and in Reverse Micelles: Compressibility and Volume Changes, Biophysical Journal, vol.80, issue.6, pp.2751-60, 2001. ,
DOI : 10.1016/S0006-3495(01)76243-1
Biomolecular Modeling: Goals, Problems, Perspectives, Angewandte Chemie International Edition, vol.45, pp.25-4064, 2006. ,
Structure and Dynamics of Nonionic Polyoxyethylenic Reverse Micelles by Time-Resolved Fluorescence Quenching, Langmuir, vol.11, issue.8, pp.2893-2901, 1995. ,
DOI : 10.1021/la00008a009
Computer "Experiments" on Classical Fluids. II. Equilibrium Correlation Functions, Physical Review, vol.165, issue.1, p.201, 1967. ,
DOI : 10.1103/PhysRev.165.201
Conformational studies of ethylene glycol and its two methyl ether derivatives, Molecular Physics, vol.8, issue.2, pp.541-59, 1974. ,
DOI : 10.1021/ja01113a001
Nouvelles applications des paramètres continus à la théorie des formes quadratiques, J. Reine Angew. Math, vol.134, pp.198-287, 1908. ,
Proteins and peptides in water-restricted environments, Proteins: Structure, Function, and Genetics, vol.5, issue.1, pp.4-15, 1986. ,
DOI : 10.1002/prot.340010104
Molecular Dynamics Simulations of a Polyalanine Octapeptide under Ewald Boundary Conditions:?? Influence of Artificial Periodicity on Peptide Conformation, The Journal of Physical Chemistry B, vol.104, issue.15, pp.16-3668, 2000. ,
DOI : 10.1021/jp9937757
Fluorescence probing of inverted micelles. The state of solubilized water clusters in alkane/diisooctyl sulfosuccinate (aerosol OT) solution, Journal of the American Chemical Society, vol.98, issue.9, pp.2391-2398, 1976. ,
DOI : 10.1021/ja00425a004
Monte Carlo Equation of State of Molecules Interacting with the Lennard???Jones Potential. I. A Supercritical Isotherm at about Twice the Critical Temperature, The Journal of Chemical Physics, vol.27, issue.3, pp.720-753, 1957. ,
DOI : 10.1063/1.1743822
Molecular Dynamics Study of Substance P Peptides Partitioned in a Sodium Dodecylsulfate Micelle, Biophysical Journal, vol.76, issue.3, pp.1213-1240, 1999. ,
DOI : 10.1016/S0006-3495(99)77285-1
Crystallization of Organic Compounds in Reversed Micelles. I. Solubilization of Amino Acids in Water???Isooctane???AOT Microemulsions, Langmuir, vol.16, issue.26, pp.26-9996, 2000. ,
DOI : 10.1021/la0004101
Conformational Analyses of Model Compounds of Nonionic Surfactants in Aqueous Solution: Raman Spectroscopy and ab initio MO Calculations, J. Mol. Struct, pp.311-205, 1994. ,
Inverted micelles and microemulsions in the ternary system water/aerosol-OT/isooctane as studied by photon correlation spectroscopy, The Journal of Physical Chemistry, vol.83, issue.4, pp.480-486, 1979. ,
DOI : 10.1021/j100467a011