Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

The capabilities of current computer simulations provide a unique opportunity to model small-angle scattering (SAS) data at the atomistic level, and to include other structural constraints ranging from molecular and atomistic energetics to crystallography, electron microscopy and NMR. This extends t...

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Veröffentlicht in:Journal of applied crystallography. - 1998. - 49(2016), Pt 6 vom: 01. Dez., Seite 1861-1875
1. Verfasser: Perkins, Stephen J (VerfasserIn)
Weitere Verfasser: Wright, David W, Zhang, Hailiang, Brookes, Emre H, Chen, Jianhan, Irving, Thomas C, Krueger, Susan, Barlow, David J, Edler, Karen J, Scott, David J, Terrill, Nicholas J, King, Stephen M, Butler, Paul D, Curtis, Joseph E
Format: Aufsatz
Sprache:English
Veröffentlicht: 2016
Zugriff auf das übergeordnete Werk:Journal of applied crystallography
Schlagworte:Journal Article molecular dynamics (MD) molecular modelling scattering curve fits small-angle-X-ray scattering (SAXS) small-angle-neutron scattering (SANS)