Calculation of small angle scattering intensities from molecular dynamics simulation.
A method is presented to efficiently calculate small-angle neutron and X-ray solution scattering intensities from explicit - atom model of macromolecules and the surrounding solvent.
Marzel
Franci
F
National Institute of Chemistry, Hajdrihova 19, 1000 Ljubljana, Slovenia.
Smith
Jeremy C
JC
D005583:Fourier Analysis; D009113:Muramidase / Q000737:chemistry*; D009502:Neutrons; D012542:Scattering, Radiation; D012996:Solutions / Q000737:chemistry; D013816:Thermodynamics; D014867:Water / Q000737:chemistry*; D014965:X-Rays
D012996:Solutions; D014867:Water; D009113:Muramidase