Molecular dynamics simulations of diffuse scattering
نویسندگان
چکیده
منابع مشابه
Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scattering.
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 collective motions in proteins. Previous studie...
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Tian Lan,1,* Chen W. Li,2 J. L. Niedziela,2 Hillary Smith,1 Douglas L. Abernathy,2 George R. Rossman,3 and Brent Fultz1 1Department of Applied Physics and Materials Science, California Institute of Technology, Pasadena, California 91125, USA 2Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA 3Division of Geological and Planetary Sciences, California Institute of Technology, Pasaden...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2019
ISSN: 2053-2733
DOI: 10.1107/s0108767319097575