Zobrazeno 1 - 10
of 10 822
pro vyhledávání: '"Structure determination"'
Publikováno v:
IUCrJ, Vol 11, Iss 5, Pp 843-848 (2024)
The antipsychotic drug olanzapine is well known for its complex polymorphism. Although widely investigated, the crystal structure of one of its anhydrous polymorphs, form III, is still unknown. Its appearance, always in concomitance with forms II and
Externí odkaz:
https://doaj.org/article/d796c5e02c01464993b1662c0b9c5d7b
Autor:
Helen W. Leung, Royston C. B. Copley, Giulio I. Lampronti, Sarah J. Day, Lucy K. Saunders, Duncan N. Johnstone, Paul A. Midgley
Publikováno v:
IUCrJ, Vol 11, Iss 5, Pp 744-748 (2024)
3D electron diffraction (3DED) is increasingly employed to determine molecular and crystal structures from micro-crystals. Indomethacin is a well known, marketed, small-molecule non-steroidal anti-inflammatory drug with eight known polymorphic forms,
Externí odkaz:
https://doaj.org/article/4b8a69304af1467b8773d3c4b670d968
Publikováno v:
IUCrJ, Vol 11, Iss 4, Pp 587-601 (2024)
The success of experimental phasing in macromolecular crystallography relies primarily on the accurate locations of heavy atoms bound to the target crystal. To improve the process of substructure determination, a modified phase-retrieval algorithm bu
Externí odkaz:
https://doaj.org/article/102c95d400074258908a64fd02e07943
Autor:
Svenja C. Hövelmann, Ella Dieball, Jule Kuhn, Michelle Dargasz, Rajendra P. Giri, Franziska Reise, Michael Paulus, Thisbe K. Lindhorst, Bridget M. Murphy
Publikováno v:
IUCrJ, Vol 11, Iss 4, Pp 486-493 (2024)
The functionality and efficiency of proteins within a biological membrane are highly dependent on both the membrane lipid composition and the physiochemical properties of the solution. Lipid mesophases are directly influenced by changes in temperatur
Externí odkaz:
https://doaj.org/article/3db65f7588ce4fc4ba6c2c666a9798e4
Autor:
Gerard J. Kleywegt, Paul D. Adams, Sarah J. Butcher, Catherine L. Lawson, Alexis Rohou, Peter B. Rosenthal, Sriram Subramaniam, Maya Topf, Sanja Abbott, Philip R. Baldwin, John M. Berrisford, Gérard Bricogne, Preeti Choudhary, Tristan I. Croll, Radostin Danev, Sai J. Ganesan, Timothy Grant, Aleksandras Gutmanas, Richard Henderson, J. Bernard Heymann, Juha T. Huiskonen, Andrei Istrate, Takayuki Kato, Gabriel C. Lander, Shee-Mei Lok, Steven J. Ludtke, Garib N. Murshudov, Ryan Pye, Grigore D. Pintilie, Jane S. Richardson, Carsten Sachse, Osman Salih, Sjors H. W. Scheres, Gunnar F. Schroeder, Carlos Oscar S. Sorzano, Scott M. Stagg, Zhe Wang, Rangana Warshamanage, John D. Westbrook, Martyn D. Winn, Jasmine Y. Young, Stephen K. Burley, Jeffrey C. Hoch, Genji Kurisu, Kyle Morris, Ardan Patwardhan, Sameer Velankar
Publikováno v:
IUCrJ, Vol 11, Iss 2, Pp 140-151 (2024)
In January 2020, a workshop was held at EMBL-EBI (Hinxton, UK) to discuss data requirements for the deposition and validation of cryoEM structures, with a focus on single-particle analysis. The meeting was attended by 47 experts in data processing, m
Externí odkaz:
https://doaj.org/article/0e43f020fe4a4894b6f5aa6a5fd3dc2f
Publikováno v:
BMC Bioinformatics, Vol 25, Iss 1, Pp 1-19 (2024)
Abstract Background Cryo-electron microscopy (Cryo-EM) plays an increasingly important role in the determination of the three-dimensional (3D) structure of macromolecules. In order to achieve 3D reconstruction results close to atomic resolution, 2D s
Externí odkaz:
https://doaj.org/article/09b3277f00404f18864f1a179275b704
Publikováno v:
Shipin gongye ke-ji, Vol 45, Iss 1, Pp 9-17 (2024)
As one of the main active ingredients of garlic, garlic polysaccharide has many biological activities, such as enhancing immunity, antibacterial, antiviral, antioxidant, hepatoprotective, hypolipidemic, hypoglycemic, etc., and has a broad application
Externí odkaz:
https://doaj.org/article/92ac595f7dc74638af8c8af042689c8c
Autor:
Yu He, Xiaofan Dong, Theodore E. Simos, Spyridon D. Mourtas, Vasilios N. Katsikis, Dimitris Lagios, Panagiotis Zervas, Giannis Tzimas
Publikováno v:
AIMS Mathematics, Vol 9, Iss 1, Pp 2411-2434 (2024)
Undoubtedly, one of the most common machine learning challenges is multiclass classification. In light of this, a novel bio-inspired neural network (NN) has been developed to address multiclass classification-related issues. Given that weights and st
Externí odkaz:
https://doaj.org/article/7ede0767120147f789f433b5d4b41f3a
Publikováno v:
IUCrJ, Vol 11, Iss 1, Pp 62-72 (2024)
Serial electron diffraction (SerialED), which applies a snapshot data acquisition strategy for each crystal, was introduced to tackle the problem of radiation damage in the structure determination of beam-sensitive materials by three-dimensional elec
Externí odkaz:
https://doaj.org/article/21e4aafdd8844c0cbb502f2240241149
Publikováno v:
IUCrJ, Vol 11, Iss 1, Pp 92-108 (2024)
Single-particle imaging using X-ray free-electron lasers (XFELs) is a promising technique for observing nanoscale biological samples under near-physiological conditions. However, as the sample's orientation in each diffraction pattern is unknown, adv
Externí odkaz:
https://doaj.org/article/e5fe81cc97df4c28b7cd20f100d36a5b