Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.

Abstract

X-ray diffraction from protein crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering is limited to what is available in the mean electron density. The diffuse scattering arises from correlations in the electron density variations and therefore contains information about… (More)
DOI: 10.1073/pnas.1416744111

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@article{Wall2014ConformationalDO, title={Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.}, author={Michael E. Wall and Andrew H. Van Benschoten and Nicholas K. Sauter and Paul D. Adams and James S Fraser and Thomas C. Terwilliger}, journal={Proceedings of the National Academy of Sciences of the United States of America}, year={2014}, volume={111 50}, pages={17887-92} }