The Human ATP-Binding Cassette (ABC) Transporter Superfamily, Genome Research, vol.11, issue.7, pp.1156-1166, 2001. ,
Overexpression of a transporter gene in a multidrug-resistant human lung cancer cell line, Science, vol.258, pp.1650-1654, 1992. ,
Phosphorylation-regulated Cl ? channel in CHO cells stably expressing the cystic fibrosis gene, Nature, vol.352, pp.628-631, 1991. ,
Familial Persistent Hyperinsulinemic Hypoglycemia of Infancy and Mutations in the Sulfonylurea Receptor, New England Journal of Medicine, vol.336, issue.10, pp.703-706, 1997. ,
Variant in sulfonylurea receptor-1 gene is associated with high insulin concentrations in non-diabetic Mexican Americans: SUR-1 gene variant and hyperinsulinemia, Human Genetics, vol.103, issue.3, pp.280-285, 1998. ,
Transmembrane transport of endo-and xenobiotics by mammalian ATP-binding cassette multidrug resistance proteins, Physiol. Rev, vol.86, pp.849-899, 2006. ,
N-acetylcysteine enhances multidrug resistance-associated protein 1 mediated doxorubicin resistance, European Journal of Clinical Investigation, vol.34, issue.10, pp.683-689, 2004. ,
Structure and Function of ABC Transporters, Physiology, vol.22, issue.2, pp.122-130, 2007. ,
Multidrug resistance mediated by the ATP-binding cassette transporter protein MRP, BioEssays, vol.20, pp.931-940, 1998. ,
Epitope insertion favors a six transmembrane domain model for the carboxy-terminal portion of the multidrug resistance-associated protein, Biochemistry, vol.37, pp.2305-2313, 1998. ,
Topology Mapping of the Amino-terminal Half of Multidrug Resistance-associated Protein by Epitope Insertion and Immunofluorescence, Journal of Biological Chemistry, vol.272, issue.42, pp.26479-26487, 1997. ,
Membrane Topology of the Multidrug Resistance Protein (MRP), Journal of Biological Chemistry, vol.272, issue.38, pp.23623-23630, 1997. ,
Functional multidrug resistance protein (MRP1) lacking the N-terminal transmembrane domain, J. Biol. Chem, vol.273, pp.32167-32175, 1998. ,
Structure and mechanism of ABC transporter proteins, Current Opinion in Structural Biology, vol.17, issue.4, pp.412-418, 2007. ,
Flexibility in the ABC transporter MsbA: alternating access with a twist, Proc. Natl. Acad. Sci. U. S. A, vol.104, pp.19005-19010, 2007. ,
Structure of the multidrug ABC transporter Sav1866 from S. aureus in complex with AMP-PNP, Structure of the multidrug ABC transporter Sav 1866 from Staphylococcus aureus in complex with AMP-PNP, vol.581, pp.935-938, 2007. ,
Structure of a bacterial multidrug ABC transporter, Nature, vol.443, pp.180-185, 2006. ,
Structure of a human multidrug transporter in an inward-facing conformation, Journal of Structural Biology, vol.170, issue.3, pp.540-547, 2010. ,
Molecular modeling of the human multidrug resistance protein 1 (MRP1/ABCC1), Biochemical and Biophysical Research Communications, vol.365, issue.1, pp.29-34, 2008. ,
Molecular modeling correctly predicts the functional importance of Phe594 in transmembrane helix 11 of the multidrug resistance protein, MRP1 (ABCC1), J. Biol. Chem, vol.279, pp.463-468, 2004. ,
Substrate recognition and transport by multidrug resistance protein 1 (ABCC1), FEBS Lett, vol.580, pp.1103-1111, 2006. ,
Characterization of peptides corresponding to the seven transmembrane domains of human adenosine A2a receptor, Biochemistry, vol.43, pp.12945-12954, 2004. ,
Conformational studies of peptides representing a segment of TM7 from H+-VO-ATPase in SDS micelles, Eur. Biophys. J, vol.39, pp.639-646, 2010. ,
In vitro dimerization of the bovine papillomavirus E5 protein transmembrane domain, Biochemistry, vol.47, pp.8985-8992, 2008. ,
Peptide models of membrane protein folding, Biochemistry, vol.48, pp.3036-3045, 2009. ,
Efficiency of detergents at maintaining membrane protein structures in their biologically relevant forms, Biochim. Biophys. Acta, vol.1818, pp.1351-1358, 2012. ,
Helical transmembrane peptides: a "divide and conquer" approach to membrane proteins, Chem. Phys. Lipids, vol.163, pp.1-26, 2010. ,
Helical membrane protein folding, stability an evolution, Annu. Rev. Biochem, vol.69, pp.881-922, 2000. ,
Membrane protein folding and oligomerization: the two-stage model, Biochemistry, vol.29, pp.4031-4037, 1990. ,
, Membrane protein folding: beyond the two stage model, vol.555, pp.122-125, 2003.
MEMBRANE PROTEIN FOLDING AND STABILITY: Physical Principles, Annual Review of Biophysics and Biomolecular Structure, vol.28, issue.1, pp.319-365, 1999. ,
Binding of a Photoaffinity Analogue of Glutathione to MRP1 (ABCC1) within Two Cytoplasmic Regions (L0 and L1) as Well as Transmembrane Domains 10-11 and 16-17?, Biochemistry, vol.42, issue.11, pp.3286-3294, 2003. ,
Identification of proline residues in the core cytoplasmic and transmembrane regions of multidrug resistance protein 1 (MRP1/ABCC1) important for transport function, substrate specificity, and nucleotide interactions, J. Biol. Chem, vol.279, pp.12325-12336, 2004. ,
Multiple membrane-associated tryptophan residues contribute to the transport activity and substrate specificity of the human multidrug resistance protein, MRP1, J. Biol. Chem, vol.277, pp.49495-49503, 2002. ,
Mutational analysis of polar amino acid residues within predicted transmembrane helices 10 and 16 of multidrug resistance protein 1 (ABCC1): effect on substrate specificity, Drug Metab. Dispos, vol.34, pp.539-546, 2006. ,
Determinants of the Substrate Specificity of Multidrug Resistance Protein 1, Journal of Biological Chemistry, vol.277, issue.23, pp.20934-20941, 2002. ,
Mutational analysis of ionizable residues proximal to the cytoplasmic interface of membrane spanning domain 3 of the multidrug resistance protein, MRP1 (ABCC1): glutamate 1204 is important for both the expression and catalytic activity of the transporter, J. Biol. Chem, vol.279, pp.38871-38880, 2004. ,
The predicted transmembrane fragment 17 of the human multidrug resistance protein 1 (MRP1) behaves as an interfacial helix in membrane mimics, Biochim. Biophys. Acta Biomembr, vol.1768, pp.538-552, 2007. ,
URL : https://hal.archives-ouvertes.fr/hal-00259005
Transverse and tangential orientation of predicted transmembrane fragments 4 and 10 from the human multidrug resistance protein (hMRP1/ABCC1) in membrane mimics, Eur. Biophys. J, vol.40, pp.1043-1060, 2011. ,
Interaction with membrane mimics of transmembrane fragments 16 and 17 from the human multidrug resistance ABC transporter 1 (hMRP1/ABCC1) and two of their tryptophan variants, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.1798, issue.3, pp.401-414, 2010. ,
MPEx: a tool for exploring membrane proteins, Protein Sci, vol.18, pp.2624-2628, 2009. ,
Trifluoroethanol and colleagues: cosolvents come of age. Recent studies with peptides and proteins, Q. Rev. Biophys, vol.31, pp.297-355, 1998. ,
Trifluoroethanol promotes helix formation by destabilizing backbone exposure: desolvation rather than native hydrogen bonding defines the kinetic pathway of dimeric coiled coil folding, Biochemistry, vol.37, pp.14613-14622, 1998. ,
Quantitative determination of helical propensities from trifluoroethanol titration curves, Biochemistry, vol.33, pp.2129-2135, 1994. ,
Mechanism by which 2,2,2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: a molecular dynamics study, Proc. Natl. Acad. Sci. U. S. A, vol.99, pp.12179-12184, 2002. ,
Salvage therapy for recurrent or refractory non-Hodgkin's lymphoma with etoposide, methotrexate, vindesine and prednisolone (EMVP), Gan To Kagaku Ryoho, vol.19, pp.2389-2393, 1992. ,
Choosing membrane mimetics for NMR structural studies of transmembrane proteins, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.1808, issue.8, pp.1957-1974, 2011. ,
URL : https://hal.archives-ouvertes.fr/hal-02567622
The use of Dodecylphosphocholine micelles in solution NMR, J. Magn. Reson. B, vol.109, pp.60-65, 1995. ,
Detergents for the stabilization and crystallization of membrane proteins, Methods, vol.41, issue.4, pp.388-397, 2007. ,
Single-spanning membrane protein insertion in membrane mimetic systems: role and localization of aromatic residues, Eur. Biophys. J, vol.35, pp.27-39, 2005. ,
Spectroscopic studies of the interaction of Ca 2+ -ATPase-peptides with dodecyl maltoside and its brominated analog, Eur. Biophys. J, vol.257, pp.216-227, 1998. ,
Detergent structure and associated lipid as determinants in the stabilization of solubilized Ca 2+ -ATPase from sarcoplasmic reticulum, J. Biol. Chem, vol.264, pp.4907-4915, 1989. ,
Stability and solubility of integral membrane proteins from photosynthetic bacteria solubilized in different detergents, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.1660, issue.1-2, pp.80-92, 2004. ,
Solution nuclear magnetic resonance structure and molecular dynamics simulations of a murine 185 kDa myelin basic protein segment (S72-S107) in association with dodecylphosphocholine micelles, Biochemistry, vol.51, pp.7475-7487, 2012. ,
Structural biology of transmembrane domains: Efficient production and characterization of transmembrane peptides by NMR, Protein Science, vol.16, issue.10, pp.2153-2165, 2007. ,
Characterization of sodium dodecylsulphate and dodecylphosphocholine mixed micelles through NMR and dynamic light scattering, Magnetic Resonance in Chemistry, vol.51, issue.3, pp.176-183, 2013. ,
Physicochemical studies of the protein-lipid interactions in melittin-containing micelles, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.556, issue.2, pp.244-264, 1979. ,
Location and orientation relative to the micelle surface for glucagon in mixed micelles with dodecylphosphocholine EPR and NMR studies, Biochim. Biophys. Acta Biomembr, vol.642, pp.296-312, 1981. ,
Interaction of membrane proteins and lipids with solubilizing detergents, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.1508, issue.1-2, pp.86-111, 2000. ,
Nonionic Surfactants, Nonionic Surfactants: Alkyl Polyglucosides, 2000. ,
Improved prediction of protein side-chain conformations with SCWRL4, Proteins: Structure, Function, and Bioinformatics, vol.77, issue.4, pp.778-795, 2009. ,
Improved side-chain torsion potentials for the Amber ff99SB protein force field, Proteins Struct. Funct. Bioinform, vol.78, pp.1950-1958, 2010. ,
R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries, Nucleic Acids Research, vol.36, issue.Database, pp.D360-D367, 2007. ,
The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building, Physical Chemistry Chemical Physics, vol.12, issue.28, p.7821, 2010. ,
Intramolecular and liquid structure of 2,2,2-trifluoroethanol by X-ray diffraction, Journal of Solution Chemistry, vol.18, issue.8, pp.771-784, 1989. ,
Investigation of structure of liquid 2,2,2 trifluoroethanol: Neutron diffraction, molecular dynamics, and ab initio quantum chemical study, The Journal of Chemical Physics, vol.121, issue.24, p.12472, 2004. ,
A comparison of the properties of 2,2,2-trifluoroethanol and 2,2,2-trifluoroethanol/water mixtures using different force fields, The Journal of Chemical Physics, vol.115, issue.12, pp.5521-5530, 2001. ,
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules, Journal of the American Chemical Society, vol.117, issue.19, pp.5179-5197, 1995. ,
Hydrophobic solvation in aqueous trifluoroethanol solution, Biopolymers, vol.39, issue.1, pp.43-50, 1998. ,
Molecular Dynamics Simulations of a Characteristic DPC Micelle in Water, Journal of Chemical Theory and Computation, vol.8, issue.11, pp.4610-4623, 2012. ,
URL : https://hal.archives-ouvertes.fr/cea-02999231
Multi-Mannosides Based on a Carbohydrate Scaffold: Synthesis, Force Field Development, Molecular Dynamics Studies, and Binding Affinities for Lectin Con A, The Journal of Organic Chemistry, vol.72, issue.24, pp.9032-9045, 2007. ,
Comparison of multiple Amber force fields and development of improved protein backbone parameters, Proteins: Structure, Function, and Bioinformatics, vol.65, issue.3, pp.712-725, 2006. ,
Molecular Simulations of Dodecyl-?-maltoside Micelles in Water: Influence of the Headgroup Conformation and Force Field Parameters, The Journal of Physical Chemistry B, vol.115, issue.3, pp.487-499, 2011. ,
URL : https://hal.archives-ouvertes.fr/hal-00720021
GLYCAM06: A generalizable biomolecular force field. Carbohydrates, Journal of Computational Chemistry, vol.29, issue.4, pp.622-655, 2007. ,
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit, Bioinformatics, vol.29, issue.7, pp.845-854, 2013. ,
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation, Journal of Chemical Theory and Computation, vol.4, issue.3, pp.435-447, 2008. ,
Calculating the Free Energy of Association of Transmembrane Helices, Biophysical Journal, vol.91, issue.5, pp.1710-1723, 2006. ,
Anomeric Effects on the Structure of Micelles of Alkyl Maltosides in Water, Langmuir, vol.13, issue.15, pp.3965-3967, 1997. ,
An Iris-Like Mechanism of Pore Dilation in the CorA Magnesium Transport System, Biophysical Journal, vol.98, issue.5, pp.784-792, 2010. ,
Comparison of simple potential functions for simulating liquid water, The Journal of Chemical Physics, vol.79, issue.2, pp.926-935, 1983. ,
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models, Journal of Computational Chemistry, vol.13, issue.8, pp.952-962, 1992. ,
A smooth particle mesh Ewald method, The Journal of Chemical Physics, vol.103, issue.19, pp.8577-8593, 1995. ,
Molecular dynamics with coupling to an external bath, The Journal of Chemical Physics, vol.81, issue.8, pp.3684-3690, 1984. ,
Canonical sampling through velocity rescaling, The Journal of Chemical Physics, vol.126, issue.1, p.014101, 2007. ,
Molecular Dynamics Study of Liquid Water, The Journal of Chemical Physics, vol.55, issue.7, pp.3336-3359, 1971. ,
Polymorphic transitions in single crystals: A new molecular dynamics method, Journal of Applied Physics, vol.52, issue.12, pp.7182-7190, 1981. ,
A molecular dynamics method for simulations in the canonical ensemble, Molecular Physics, vol.52, issue.2, pp.255-268, 1984. ,
Canonical dynamics: Equilibrium phase-space distributions, Physical Review A, vol.31, issue.3, pp.1695-1697, 1985. ,
P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation, Journal of Chemical Theory and Computation, vol.4, issue.1, pp.116-122, 2007. ,
Characterization of a Disordered Protein during Micellation: Interactions of ?-Synuclein with Sodium Dodecyl Sulfate, The Journal of Physical Chemistry B, vol.116, issue.15, pp.4417-4424, 2012. ,
Atomistic Simulations of Micellization of Sodium Hexyl, Heptyl, Octyl, and Nonyl Sulfates, The Journal of Physical Chemistry B, vol.116, issue.8, pp.2430-2437, 2012. ,
Atomistic simulations of spontaneous formation and structural properties of linoleic acid micelles in water, Chemical Physics Letters, vol.481, issue.1-3, pp.124-129, 2009. ,
URL : https://hal.archives-ouvertes.fr/hal-00429495
On the Theory of Micellization Kinetics, Macromolecular Theory and Simulations, vol.14, issue.9, pp.569-585, 2005. ,
Smoluchowski's equation for cluster exogenous growth, Europhysics Letters (EPL), vol.40, issue.3, pp.239-244, 1997. ,
Kinetics of thermo-induced micelle-to-vesicle transitions in a catanionic surfactant system investigated by stopped-flow temperature jump, Physical Chemistry Chemical Physics, vol.13, issue.27, p.12545, 2011. ,
Delano & Aldrich, 2003. ,
Isothermal compressibility of cyclohexane-n-decane, cyclohexane-n-dodecane, and cyclohexane-n-tetradecane, Journal of Chemical & Engineering Data, vol.26, issue.1, pp.22-26, 1981. ,
Selected Values of Physical Thermodynamic Properties of Hydrocarbons and Related Compounds, Carnegie P, 1953. ,
The polar headgroup of the detergent governs the accessibility to water of tryptophan octyl ester in host micelles, Biochimica et Biophysica Acta (BBA) - Biomembranes, vol.1514, issue.1, pp.76-86, 2001. ,
The Preference of Tryptophan for Membrane Interfaces, Journal of Biological Chemistry, vol.283, issue.32, pp.22233-22243, 2008. ,
Cation?? Interactions Stabilize the Structure of the Antimicrobial Peptide Indolicidin near Membranes: Molecular Dynamics Simulations, The Journal of Physical Chemistry B, vol.111, issue.1, pp.242-250, 2007. ,
Molecular Dynamics Simulations of Pentapeptides at Interfaces: Salt Bridge and Cation?? Interactions?, Biochemistry, vol.42, issue.30, pp.8976-8987, 2003. ,
Molecular Dynamics Potential of Mean Force Calculations: A Study of the Toluene?Ammonium ?-Cation Interactions, Journal of the American Chemical Society, vol.118, issue.12, pp.2998-3005, 1996. ,
3) of C. H. Rycroft to implement the Voronoitessellation for frames of a GROMACS trajectory. It can compute the Voronoi volume and surfaces of any given atoms, C++, which uses the voro++ library ,
VORO++: A three-dimensional Voronoi cell library in C++, Chaos: An Interdisciplinary Journal of Nonlinear Science, vol.19, issue.4, p.041111, 2009. ,
Volumetric Properties of Hydrated Peptides: Voronoi?Delaunay Analysis of Molecular Simulation Runs, The Journal of Physical Chemistry B, vol.115, issue.48, pp.14217-14228, 2011. ,
Intrinsic compressibility and volume compression in solvated proteins by molecular dynamics simulation at high pressure., Proceedings of the National Academy of Sciences, vol.93, issue.21, pp.11609-11614, 1996. ,
A simple method for displaying the hydropathic character of a protein, Journal of Molecular Biology, vol.157, issue.1, pp.105-132, 1982. ,
Protein Identification and Analysis Tools on the ExPASy Server, The Proteomics Protocols Handbook, pp.571-607, 2005. ,
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features, Biopolymers, vol.22, issue.12, pp.2577-2637, 1983. ,
Generic hydrophobic residues are sufficient to promote aggregation of the Alzheimer's Abeta42 peptide, Proceedings of the National Academy of Sciences, vol.103, issue.43, pp.15824-15829, 2006. ,
Inhibition of Protein Aggregation: Supramolecular Assemblies of Arginine Hold the Key, PLoS ONE, vol.2, issue.11, p.e1176, 2007. ,