Results 41 to 50 of about 449,097 (372)
Interstitial Fractionalization and Spherical Crystallography [PDF]
, 2007 Finding the ground states of identical particles packed on spheres has relevance for stabilizing emulsions and a venerable history in the literature of theoretical physics and mathematics.
Altschuler +29 more
core +3 more sources
PRODRG: a tool for high-throughput crystallography of protein-ligand complexes.
Acta Crystallographica Section D: Biological Crystallography, 2004 The small-molecule topology generator PRODRG is described, which takes input from existing coordinates or various two-dimensional formats and automatically generates coordinates and molecular topologies suitable for X-ray refinement of protein-ligand ...
A. W. Schüttelkopf, D. V. van Aalten
semanticscholar +1 more source
Molecular Biotechnology, 1999 Virus crystallography can provide atomic resolution structures for intact isometric virus particles and components thereof. The methodology is illustrated by reference to a particularly complex example, the core of the bluetongue virus (700 A).
Fry, E, Grimes, J, Stuart, D
openaire +3 more sources
Quantum crystallographic charge density of urea [PDF]
, 2016 Standard X-ray crystallography methods use free-atom models to calculate mean unit cell charge densities. Real molecules, however, have shared charge that is not captured accurately using free-atom models.
Wall, Michael E.
core +6 more sources
Frontiers in Molecular Biosciences, 2021 Disintegrins are small cysteine-rich proteins found in a variety of snake venom. These proteins selectively modulate integrin function, heterodimeric receptors involved in cell-cell and cell-matrix interaction that are widely studied as therapeutic ...
Ariana A. Vasconcelos +7 more
doaj +1 more source
Near IR luminescent rare earth 3,4,5,6-tetrafluoro-2-nitrophenoxide complexes: Synthesis, X-ray crystallography and spectroscopy [PDF]
, 2008 NOTICE: this is the author’s version of a work that was accepted for publication in Near IR luminescent rare earth 3,4,5,6-tetrafluoro-2-nitrophenoxide complexes: Synthesis, X-ray crystallography and spectroscopy.
Abrahams, I +5 more
core +1 more source
Zeitschrift für Kristallographie, 2012 We summarize exploratory work on multigrain crystallography. The experimental arrangement comprises a monochromatic beam, a fully illuminated sample with up to several hundred grains in transmission geometry on a rotary table and a 2D detector. Novel algorithms are presented for indexing, integration and filtering with emphasis on handling the ...
Sørensen, Henning Osholm +10 more
openaire +5 more sources
An integrated web resource for crystallography
Data Science Journal, 2006 A recurring theme during the CODATA 2000 conference (Lake Maggiore, Italy, 15 - 19 October 2000) was the increasing convergence in data-rich branches of science between the storage and retrieval of data and the publication of conclusions drawn from the ...
Brian McMahon
doaj +1 more source
Characterization of crystal structure and precipitation crystallography of a new MgxAl2-xGd phase in Mg97Al1Gd2 alloy [PDF]
Journal of applied crystallography, 2016, 2016 The composition, crystal structure and precipitation crystallography of a newly found precipitate are characterized by a Cs-corrected scanning transmission electron microscopy (STEM). The composition of the plate-like precipitate could be expressed as MgxAl2-xGd (x = 0.38), and its crystal structure is the same as the fcc type Laves phases Mg2Gd and ...
arxiv +1 more source