Molecular self-assembly and nanochemistry: a chemical strategy for the synthesis of nanostructures, Science, vol.254, p.1312, 1991. ,
Self-Assembly of a ?-Sheet Protein Governed by Relief of Electrostatic Repulsion Relative to van der Waals Attraction, Biomacromolecules, vol.1, p.627, 2000. ,
Aromatic?Aromatic Interactions Induce the Self-Assembly of Pentapeptidic Derivatives in Water To Form Nanofibers and Supramolecular Hydrogels, J. Am. Chem. Soc, p.2719, 2010. ,
Impact of chemical heterogeneity on protein self-assembly in water, Proc. Natl. Acad. Sci. U.S.A, vol.109, p.7636, 2012. ,
Controlled Drug Delivery?The Role of Self-Assembling Multi-Task Excipients, 2015. ,
Bio-inspired, bioengineered and biomimetic drug delivery carriers, Nat. Rev. Drug Discovery, vol.10, p.521, 2011. ,
Elucidation of the self-assembly pathway of lanreotide octapeptide into ?-sheet nanotubes: role of two stable intermediates, J. Am. Chem. Soc, p.4230, 2010. ,
URL : https://hal.archives-ouvertes.fr/hal-00470362
Self-assembled peptide nanostructures: the design of molecular building blocks and their technological utilization, Chem. Soc. Rev, vol.36, p.1263, 2007. ,
Twenty years of cellpenetrating peptides: from molecular mechanisms to therapeutics, Br. J. Pharm, vol.157, p.195, 2009. ,
URL : https://hal.archives-ouvertes.fr/hal-00400161
Self-assembly of peptide amphiphiles: From molecules to nanostructures to biomaterials, Pept. Sci, vol.94, p.1, 2010. ,
Biomimetic organization: Octapeptide self-assembly into nanotubes of viral capsid-like dimension, Proc. Natl. Acad. Sci. U.S.A, vol.100, p.10258, 2003. ,
Peptide nanotubes: molecular organisations, self-assembly mechanisms and applications, Soft Matter, vol.7, p.9583, 2011. ,
, Angew. Chem., Int. Ed, vol.53, p.6866, 2014.
Molecular origin of the self-assembly of Lanreotide into Nanotubes: A Mutational Approach, Biophys. J, vol.94, p.1782, 2008. ,
Autoassemblages Peptidiques d'analogues du Lanreótide: Controle du Diametre des Nanotubes et Autres Morphologies ,
Novel Octapeptide Compounds and Therapeutic Use Thereof ,
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules, J. Am. Chem. Soc, vol.117, p.5179, 1995. ,
Ion-pair induced self-assembly in aqueous solvents, Chem. Soc. Rev, p.3597, 2010. ,
Effect of Environment on Hydrogen Bond Dynamics in Liquid Water, Phys. Rev. Lett, vol.76, issue.928, 1996. ,
Physical Properties and Hydrogen-Bonding Network of Water-Ethanol Mixtures from Molecular Dynamics Simulations, J. Phys. Chem. B, p.793, 2016. ,
URL : https://hal.archives-ouvertes.fr/hal-01260211
Molecular Dynamics Simulations of p-Sulfonatocalix[4]arene Complexes with Inorganic and Organic Cations in Water: A Structural and Thermodynamic Study, Principles of Inter-Amino-Acid Recognition Revealed by Binding Energies between Homogeneous Oligopeptides. ACS Cent. Sci, vol.106, issue.22, p.97, 2002. ,
URL : https://hal.archives-ouvertes.fr/hal-00315503
Coarse Grained Simulations of the Electrolytes at the Water-Air Interface from Many Body Dissipative Particle Dynamics, J. Chem. Theory Comput, vol.8, p.787, 2012. ,
URL : https://hal.archives-ouvertes.fr/hal-00786130
An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution, Biophys. J, vol.109, p.1009, 2015. ,
Effects of All-Atom Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of A? 16?22 Dimer, J. Chem. Theory Comput, p.1440, 2019. ,
A general purpose model for the condensed phases of water: TIP4P, J. Chem. Phys, vol.123, p.234505, 2005. ,
Anomalous dielectric Behavior of Nanoconfined electrolytic solutions, Phys. Rev. Lett, vol.109, 2012. ,
URL : https://hal.archives-ouvertes.fr/hal-00878917
Structure and dynamics of water confined in a polyamide reverseosmosis membrane: A molecular-simulation study, J. Phys. Chem. C, vol.117, p.236, 2013. ,
On the structure and rejection of ions by a polyamide membrane in pressure-driven molecular dynamics simulations, vol.368, p.76, 2015. ,
URL : https://hal.archives-ouvertes.fr/hal-01115960
Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis, J. Comput. Chem, vol.11, issue.33, p.361, 1980. ,
35) Hirshfeld, F. Bonded-atom fragments for describing molecular charge densities, Theor. Chim. Acta, vol.5, p.129, 1977. ,
37) Delley, B. An All-Electron Numerical Method for Solving the Local Density Functional for Polyatomic Molecules, J. Chem. Phys, vol.23, p.508, 1955. ,
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density, Phys. Rev. B, vol.37, issue.785, 1988. ,
A complete basis set model chemistry. II. Open-shell systems and the total energies of the firstrow atoms, Phys. Rev. Lett, vol.77, issue.3865, p.6081, 1991. ,
, J. Mater. Chem, p.16, 1911.
A unified formulation of the constant temperature molecular dynamics methods, J. Chem. Phys, vol.81, issue.511, 1984. ,
Canonical dynamics: Equilibrium phase-space distributions, Phys. Rev. A, vol.31, issue.1695, pp.25423-25431, 1985. ,