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Focus on Quantum Crystallography [PDF]

open access: yesIUCrJ
This editorial introduces the `Focus on Quantum Crystallography' collection, coinciding with the centenary of quantum mechanics and highlighting the convergence of crystallography and quantum theory.
Paulina M. Dominiak   +2 more
doaj   +2 more sources

An integrated web resource for crystallography

open access: yesData 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

Structural and Evolutionary Analyses of PR-4 SUGARWINs Points to a Different Pattern of Protein Function

open access: yesFrontiers in Plant Science, 2021
SUGARWINs are PR-4 proteins associated with sugarcane defense against phytopathogens. Their expression is induced in response to damage by Diatraea saccharalis larvae.
Lorhenn Bryanda Lemes Maia   +11 more
doaj   +1 more source

Crystal structure and charge distribution of pyrazine: effects of extinction, thermal diffuse scattering and series termination [PDF]

open access: yes, 1976
The crystal structure and electronic charge distribution of pyrazine (1,4-diazabenzene) has been determined at 184 K by X-ray methods. The structural results of Wheatley [Acta Cryst. (1957), 10, 182-187] have been confirmed. A clear indication of bonding
Feil, D., Harkema, S., With, G. de
core   +3 more sources

Structural Characterization of Acidic M17 Leucine Aminopeptidases from the TriTryps and Evaluation of Their Role in Nutrient Starvation in Trypanosoma brucei

open access: yesmSphere, 2017
Leucine aminopeptidase (LAP) is found in all kingdoms of life and catalyzes the metal-dependent hydrolysis of the N-terminal amino acid residue of peptide or amino acyl substrates.
Jennifer Timm   +4 more
doaj   +1 more source

Molecular Packing Interaction in DNA Crystals

open access: yesCrystals, 2020
DNA crystallography provides essential structural information to understand the biochemical and biological functions of oligonucleotides. Therefore, it is necessary to understand the factors affecting crystallization of DNA to develop a strategy for ...
Amen Shamim   +3 more
doaj   +1 more source

Development of powder diffraction apparatus for small-angle X-ray scattering measurements [PDF]

open access: yes, 2013
A novel type of X-ray collimation system attached to commercial powder diffractometers makes the structural characterization of nanomaterials possible in a wide size range from
Attila Bóta   +7 more
core   +1 more source

A posteriori metadata from automated provenance tracking: Integration of AiiDA and TCOD

open access: yes, 2017
In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges that make this
Cepellotti, Andrea   +5 more
core   +1 more source

GPCR Conformations: Implications for Rational Drug Design

open access: yesPharmaceuticals, 2010
G protein-coupled receptors (GPCRs) comprise a large class of transmembrane proteins that play critical roles in both normal physiology and pathophysiology.
Abby L. Parrill, Debra L. Bautista
doaj   +1 more source

The no-defect conjecture in cosmic crystallography

open access: yes, 1996
The topology of space is usually assumed simply connected, but could be multi-connected. We review in the latter case the possibility that topological defects arising at high energy phase transitions might still be present and find that either they are ...
't Hooft   +27 more
core   +1 more source

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