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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Bibliographic Details
Main Authors: Perkins, Stephen J., 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: Article
Published: International Union of Crystallography 2016
Subjects:
molecular dynamics (MD); molecular modelling; scattering curve fits; small-angle-neutron scattering (SANS); small-angle-X-ray scattering (SAXS)
Online Access:https://eprints.nottingham.ac.uk/41955/

Internet

https://eprints.nottingham.ac.uk/41955/

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