Results 181 to 190 of about 1,602 (228)

Analysis of crystallographic phase retrieval using iterative projection algorithms. [PDF]

Acta Crystallogr D Struct Biol
Barnett MJ, Millane RP, Kingston RL.
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Haplotype-resolved chromosomal-level genome assembly of Mastigias papua. [PDF]

Sci Data
Li B, Wang X, Lv S, Yu X, Zhu W, Wang X, Feng Y, Liu N, He Y, Yang J.   +9 more
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Ab initioprotein phasing at 1.4 Å resolution

Acta Crystallographica Section A Foundations of Crystallography, 2003
All the techniques today available for the ab initio crystal structure solution of proteins require that the atomicity condition is satisfied. Accordingly, diffraction data at resolution equal or better than 1.2 A are necessary. This condition reduces the role of the ab initio techniques in macromolecular crystallography.
Burla MC, Carrozzini B, Cascarano GL, De Caro L, Giacovazzo C, Polidori G   +5 more
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Ab initio direct phasing of proteins: the limits

Zeitschrift für Kristallographie - Crystalline Materials, 1994
Abstract The role of directed methods in the protein field is analyzed. A criterion is formulated which suggests the necessary conditions for the success or the failure of the ab initio direct procedures. The distribution of quantity z = 〈α〉/σ α is central in our considerations ...
GIACOVAZZO C, GUAGLIARDI A, RAVELLI R, SILIQI, D   +4 more
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Ab-initio phasing in protein crystallography

SPIE Proceedings, 2000
The central problem in the determination of protein structures form x-ray diffraction dada (x-ray crystallography) corresponds to a phase retrieval problem with undersampled amplitude data. Algorithms for this problem that have an increased radius of convergence have the potential for reducing the amount of experimental work, and cost, involved in ...
J. L. van der Plas, Rick P. Millane
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Ab Initio Low Resolution Phasing

2013
Low resolution ab initio phasing technique may give the first crystallographic images of macromolecules or their complexes when other crystallographic approaches fail to do it due to poor diffraction quality of crystals, in particular those for membrane proteins. This phasing technique uses a set of observed structure factor magnitudes and some general
Vladimir Y. Lunin, Natalia L. Lunina, Alexandre G. Urzhumtsev   +2 more
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Ab Initio Kinetics of Gas Phase Decomposition Reactions

The Journal of Physical Chemistry A, 2010
The thermal and kinetic aspects of gas phase decomposition reactions can be extremely complex due to a large number of parameters, a variety of possible intermediates, and an overlap in thermal decomposition traces. The experimental determination of the activation energies is particularly difficult when several possible reaction pathways coexist in the
Onise, Sharia, Maija M, Kuklja
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Ab initio phasing

2006
The background and use of dual-space direct methods for the ab initio phasing of small macromolecules as well as the phasing of heavy-atom substructures of larger biological structures are described. Basic concepts include normalized structure factors, multisolution procedures, random trial structures, phase-refinement formulas, peak-picking techniques,
G. M. Sheldrick, H. A. Hauptman, C. M. Weeks, R. Miller, I. Usón   +4 more
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A Genetic Algorithm for the Ab Initio Phasing of Icosahedral Viruses

Acta Crystallographica Section D Biological Crystallography, 1996
Genetic algorithms have been investigated as computational tools for the de novo phasing of low-resolution X-ray diffraction data from crystals of icosahedral viruses. Without advance knowledge of the shape of the virus and only approximate knowledge of its size, the virus can be modeled as the symmetry expansion of a short list of nearly tetrahedrally
S T, Miller, J M, Hogle, D J, Filman
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Uniqueness and the ab initio phase problem in macromolecular crystallography

Acta Crystallographica Section D Biological Crystallography, 1993
The crystallographic phase problem is indeterminate in the absence of additional chemical information. A successful ab initio approach to the macromolecular phase problem must employ sufficient chemical constraints to limit the solutions to a manageably small number. Here we show that commonly employed chemical constraints - positivity, atomicity and a
D, Baker, A E, Krukowski, D A, Agard
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