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pro vyhledávání: '"Crystallographic information file"'
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Autor:
Mihaly Varadi, Peter A. Keller, Glen van Ginkel, Stephen Anyango, Jose M. Dana, Lukáš Pravda, Sameer Velankar
Publikováno v:
BMC Bioinformatics, Vol 22, Iss 1, Pp 1-7 (2021)
BMC Bioinformatics
BMC Bioinformatics
Background Biomacromolecular structural data outgrew the legacy Protein Data Bank (PDB) format which the scientific community relied on for decades, yet the use of its successor PDBx/Macromolecular Crystallographic Information File format (PDBx/mmCIF
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71c797b9e33cf02168434baa1b2d934e
https://doaj.org/article/7daf5eadd7f44940a4326a9042c318b1
https://doaj.org/article/7daf5eadd7f44940a4326a9042c318b1
Autor:
Ian Bruno, Saulius Gražulis, John R Helliwell, Soorya N Kabekkodu, Brian McMahon, John Westbrook
Publikováno v:
Data Science Journal, Vol 16 (2017)
Crystallographic databases have existed as electronic resources for over 50 years, and have provided comprehensive archives of crystal structures of inorganic, organic, metal–organic and biological macromolecular compounds of immense value to a wid
Externí odkaz:
https://doaj.org/article/dc286050d55b4d4ebc7090c84e1b36e0
Autor:
Sydney R. Hall, Brian McMahon
Publikováno v:
Data Science Journal, Vol 15 (2016)
The global application of the Crystallographic Information Framework (CIF) to the molecular structure domain has been successful over the past 20 years. It is used widely by molecular science journals and databases for submission, validation and depo
Externí odkaz:
https://doaj.org/article/b40e18dc076947089743cdea162b0fd5
Autor:
Anthony L. Spek
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 1, Pp 1-11 (2020)
Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 1, Pp 1-11 (2020)
This paper provides additional background information on the checkCIF procedure and additional details for a number of ALERTS along with options for how to act on them.
Authors of a paper that includes a new crystal-structure determination are e
Authors of a paper that includes a new crystal-structure determination are e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::492be58bb4903f8e0ffbe1d272ef841d
http://europepmc.org/articles/PMC6944088
http://europepmc.org/articles/PMC6944088
Autor:
Sterling Baird, Taylor D. Sparks
A large collection of element-wise planar densities for compounds obtained from the Materials Project is calculated using brute force computational geometry methods. We demonstrate that the element-wise max lattice plane densities can be useful as ma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03c366fdbacabc7f06ee16ed91e6c1e5
https://doi.org/10.33774/chemrxiv-2021-l9rp7
https://doi.org/10.33774/chemrxiv-2021-l9rp7
Publikováno v:
Data Science Journal, Vol 5, Pp 174-177 (2006)
The Crystallographic Information File (CIF), owned by the International Union of Crystallography, is a file structure based on tag-value ASCII pairs with tags defined in machine-readable dictionaries. The crystallographic community publishes and arch
Externí odkaz:
https://doaj.org/article/1ddf7f3393af4c3c85964ce4e3ebf2d7
Autor:
John D. Westbrook, Stephen K. Burley, Zukang Feng, Ezra Peisach, Chenghua Shao, John M. Berrisford, Jasmine Young, Genji Kurisu, Sameer Velankar, Yasuyo Ikegawa
Publikováno v:
Glycobiology
Since 1971, the Protein Data Bank (PDB) has served as the single global archive for experimentally determined 3D structures of biological macromolecules made freely available to the global community according to the FAIR principles of Findability–A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e823f50a837a334b36bd45bb46eb3d62
https://pubmed.ncbi.nlm.nih.gov/33978738
https://pubmed.ncbi.nlm.nih.gov/33978738
New advanced adsorbents are a crucial driver for the development of energy and environmental applications. Tremendous potential is provided by machine learning and data mining techniques, as these approaches can identify the most appropriate adsorben
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1bd0f0b31a647eaa34955c0b81f444e6
https://doi.org/10.26434/chemrxiv.13562798.v1
https://doi.org/10.26434/chemrxiv.13562798.v1
Autor:
Stephen K. Burley
Publikováno v:
The Journal of Biological Chemistry
The Protein Data Bank (PDB) is an international core data resource central to fundamental biology, biomedicine, bioenergy, and biotechnology/bioengineering. Now celebrating its 50th anniversary, the PDB houses >175,000 experimentally determined atomi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a21b9caf1386840870f7909454ae2d5
https://pubmed.ncbi.nlm.nih.gov/33744282
https://pubmed.ncbi.nlm.nih.gov/33744282