· Delarue web servers
· AquaSAXS
  · Introduction
  · Flowchart
  · News...
  · SAXS profile (auto)
  · SAXS profile (expert)
  · Sequential fit
  · Ensemble fit
· References
· Links
· BioIsis test set
· Job queue status


  • Poitevin F, Orland H, Doniach S, Koehl P, Delarue M
    AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models.
    Nucl. Ac. Res. 39, W184-W189 (

  • Svergun D, Barberato C, Koch M
    CRYSOL: a program to evaluate X-ray solution scattering of biological macromolecules from atomic coordinates.
    J. App. Cryst. 28, 768-773 (1995).

  • Schneidman-Duhovny D, Hammel M, Sali A
    FoXS: a web server for rapid computation and fitting of SAXS profiles.
    Nucl. Ac. Res. 38, W540-W544 (2010).

  • Fraser R, MacRae T, Suzuki E
    An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules
    J. App. Cryst. 11, 693-694 (1978).

  • Fliege J, Maier U
    The distribution of points on the sphere and corresponding cubature formulae
    IMA J. Numer. Anal. 19, 317-334 (1999).

  • Azuara C, Orland H, Bon M, Koehl P, Delarue M
    Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics
    Biophys. J. 95, 5587-5605 (
    2008) & Nucl. Ac. Res. 34 W52-56 (2006).

  • Koehl P, Orland H, Delarue M
    Beyond the Poisson-Boltzmann model: modeling biomolecule-water and water-water interactions.
    Phys. Rev. Lett. 102, 087801 (2009).

  • Koehl P, Orland H, Delarue M
    Computing ion-solvation free energies using the dipolar Poisson model.
    J. Phys. Chem. B 113, 5694 (2009).

  • Koehl P, Delarue M
    AQUASOL: an efficient solver for the dipolar Poisson-Boltzmann-Langevin equation
    J. Chem. Phys. 132, 064101 (2010).

  •   Marc Delarue http://lorentz.dynstr.pasteur.fr
    Page last modified 19:42 August 29, 2011.