AquaSAXS: a web server for computation and fitting of SAXS profiles with non-uniformally hydrated atomic models.

ABSTRACT: Small Angle X-ray Scattering (SAXS) techniques are becoming more and more useful for structural biologists and biochemists, thanks to better access to dedicated synchrotron beamlines, better detectors and the relative easiness of sample preparation. The ability to compute the theoretical SAXS profile of a given structural model, and to compare this profile with the measured scattering intensity, yields crucial structural informations about the macromolecule under study and/or its complexes in solution. An important contribution to the profile, besides the macromolecule itself and its solvent-excluded volume, is the excess density due to the hydration layer. AquaSAXS takes advantage of recently developed methods, such as AquaSol, that give the equilibrium solvent density map around macromol

SUBMITTER: Poitevin F 

PROVIDER: S-EPMC3125794 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature