Solution Structure and Conformational Flexibility in the Active State of the Orange Carotenoid Protein: Part I. Small-Angle Scattering

2019 ◽  
Vol 123 (45) ◽  
pp. 9525-9535 ◽  
Author(s):  
Maksym Golub ◽  
Marcus Moldenhauer ◽  
Franz-Josef Schmitt ◽  
Artem Feoktystov ◽  
Hugo Mändar ◽  
...  
Keyword(s):  
Small Angle ◽  
Solution Structure ◽  
Conformational Flexibility ◽  
Small Angle Scattering ◽  
Active State ◽  
Angle Scattering ◽  
Orange Carotenoid Protein ◽  
Protein Part

scholarly journals Solution Structure of Heavy Meromyosin by Small-angle Scattering

2002 ◽  
Vol 278 (8) ◽  
pp. 6034-6040 ◽  
Author(s):  
Samantha P. Harris ◽  
William T. Heller ◽  
Marion L. Greaser ◽  
Richard L. Moss ◽  
Jill Trewhella
Keyword(s):  
Small Angle ◽  
Solution Structure ◽  
Small Angle Scattering ◽  
Heavy Meromyosin ◽  
Angle Scattering

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

2016 ◽  
Vol 49 (6) ◽  
pp. 1861-1875 ◽  
Author(s):  
Stephen J. Perkins ◽  
David W. Wright ◽  
Hailiang Zhang ◽  
Emre H. Brookes ◽  
Jianhan Chen ◽  
...  
Keyword(s):  
Experimental Data ◽  
Small Angle ◽  
High Performance ◽  
Solution Structure ◽  
Small Angle Scattering ◽  
Coarse Grained ◽  
Scattering Data ◽  
Structural Constraints ◽  
Atomistic Modelling ◽  
Angle Scattering

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 the capabilities of solution scattering and provides deeper insights into the physics and chemistry of the systems studied. Realizing this potential, however, requires integrating the experimental data with a new generation of modelling software. To achieve this, the CCP-SAS collaboration (http://www.ccpsas.org/) is developing open-source, high-throughput and user-friendly software for the atomistic and coarse-grained molecular modelling of scattering data. Robust state-of-the-art molecular simulation engines and molecular dynamics and Monte Carlo force fields provide constraints to the solution structure inferred from the small-angle scattering data, which incorporates the known physical chemistry of the system. The implementation of this software suite involves a tiered approach in whichGenAppprovides the deployment infrastructure for running applications on both standard and high-performance computing hardware, andSASSIEprovides a workflow framework into which modules can be plugged to prepare structures, carry out simulations, calculate theoretical scattering data and compare results with experimental data.GenAppproduces the accessible web-based front end termedSASSIE-web, andGenAppandSASSIEalso make community SAS codes available. Applications are illustrated by case studies: (i) inter-domain flexibility in two- to six-domain proteins as exemplified by HIV-1 Gag, MASP and ubiquitin; (ii) the hinge conformation in human IgG2 and IgA1 antibodies; (iii) the complex formed between a hexameric protein Hfq and mRNA; and (iv) synthetic `bottlebrush' polymers.

Solution Structure of the Detergent–Photosystem II Core Complex Investigated by Small-Angle Scattering Techniques

2020 ◽  
Vol 124 (39) ◽  
pp. 8583-8592
Author(s):  
Maksym Golub ◽  
Rana Hussein ◽  
Mohamed Ibrahim ◽  
Max Hecht ◽  
Dietmar Christian Florian Wieland ◽  
...  
Keyword(s):  
Photosystem Ii ◽  
Small Angle ◽  
Solution Structure ◽  
Small Angle Scattering ◽  
Core Complex ◽  
Angle Scattering

The Solution Structure of Stilbenoid Dendrimers: A Small-Angle Scattering Study

ChemPhysChem ◽  
2006 ◽  
Vol 7 (10) ◽  
pp. 2097-2104 ◽  
Author(s):  
Sabine Rosenfeldt ◽  
Elena Karpuk ◽  
Matthias Lehmann ◽  
Herbert Meier ◽  
Peter Lindner ◽  
...  
Keyword(s):  
Small Angle ◽  
Solution Structure ◽  
Small Angle Scattering ◽  
Angle Scattering ◽  
Scattering Study

scholarly journals Solution structure and small angle scattering analysis of TraI (381-569)

2012 ◽  
Vol 80 (9) ◽  
pp. 2250-2261 ◽  
Author(s):  
Nathan T. Wright ◽  
Madushi Raththagala ◽  
Casey W. Hemmis ◽  
Sheldon Edwards ◽  
Joseph E. Curtis ◽  
...  
Keyword(s):  
Small Angle ◽  
Solution Structure ◽  
Small Angle Scattering ◽  
Angle Scattering

Small angle scattering study of silica gels and zeolites

1993 ◽  
Vol 03 (C8) ◽  
pp. C8-393-C8-396
Author(s):  
T. P.M. BEELEN ◽  
W. H. DOKTER ◽  
H. F. VAN GARDEREN ◽  
R. A. VAN SANTEN ◽  
E. PANTOS
Keyword(s):  
Small Angle ◽  
Small Angle Scattering ◽  
Silica Gels ◽  
Angle Scattering ◽  
Scattering Study
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