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

Proceedings of the National Academy of Sciences of the United States of America

Volumn 111, Issue 50, 2014, Pages 17887-17892

  Wall, Michael E ^a   Van Benschoten, Andrew H ^b   Sauter, Nicholas K ^c   Adams, Paul D ^c,d   Fraser, James S ^b   Terwilliger, Thomas C ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^d University of California at Berkeley   (United States)

Author keywords

Diffuse scattering; Molecular dynamics simulation; Protein crystallography; Protein dynamics; Staphylococcal nuclease

Indexed keywords

NUCLEASE; MICROCOCCAL NUCLEASE;

ANISOTROPY; ARTICLE; DECOMPOSITION; GEOMETRY; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOTION; PREDICTION; RADIATION SCATTERING; REPRODUCIBILITY; SIMULATION; STAPHYLOCOCCUS; CHEMICAL STRUCTURE; CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; PROCEDURES; PROTEIN CONFORMATION; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

CRYSTALLOGRAPHY, X-RAY; MICROCOCCAL NUCLEASE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PRINCIPAL COMPONENT ANALYSIS; PROTEIN CONFORMATION; X-RAY DIFFRACTION;

EID: 84918497716     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1416744111     Document Type: Article

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