The EMBL-Hamburg Automated Crystal Structure Determination Platform is a system that combines a number of existing macromolecular crystallographic computer programs and several decision-makers into a software pipeline for automated and efficient crystal structure determination. The pipeline can be invoked as soon as X-ray data from derivatized protein crystals have been collected and processed. It is controlled by a web-based graphical user interface for data and parameter input, and for monitoring the progress of structure determination. A large number of possible structure-solution paths are encoded in the system and the optimal path is selected by the decision-makers as the structure solution evolves. The processes have been optimized for speed so that the pipeline can be used effectively for validating the X-ray experiment at a synchrotron beamline.
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http://dx.doi.org/10.1107/S0907444905001307 | DOI Listing |
Sci Rep
December 2024
College of Economics and Management, Huazhong Agricultural University, Wuhan, 430070, Hubei, China.
In light of the Chinese government's dual carbon goals, achieving cleaner production activities has become a central focus, with regional environmental collaborative governance, including the management of agricultural carbon reduction, emerging as a mainstream approach. This study examines 268 prefecture-level cities in China, measuring the carbon emission efficiency of city agriculture from 2001 to 2022. By integrating social network analysis and a modified gravity model, the study reveals the characteristics of the spatial association network of city agricultural carbon emission efficiency in China.
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December 2024
Department of Internal Medicine, Haeundae Paik Hospital, Inje University College of Medicine, Haeundae-ro 875, Haeundae-gu, Busan, 48108, Republic of Korea.
This study aimed to investigate alterations in a multilayer network combining structural and functional layers in patients with end-stage kidney disease (ESKD) compared with healthy controls. In all, 38 ESKD patients and 43 healthy participants were prospectively enrolled. They exhibited normal brain magnetic resonance imaging (MRI) without any structural lesions.
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December 2024
Laboratoire Campus de Biotechnologies Végétales, Département de Biologie Végétale, Faculté des Sciences et Techniques, Université Cheikh Anta Diop, Dakar-Fann, Dakar, 10700, Senegal.
Cowpea is a seed legume, important for food and nutritional security in Africa's arid and semi-arid zones. Despite its importance, cowpea is experiencing a loss of genetic diversity due to climate change. Therefore, this study aimed to evaluate the genetic variability of 33 cowpea mutant collections using 20 SSR and 13 ISSR markers.
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December 2024
Department of Chemistry and Biochemistry, Centre for Research in Molecular Modeling (CERMM), Concordia University, 7141 Sherbrooke Street West, Montréal, QC, H4B 1R6, Canada.
Nitroglycerin is a potent vasodilator in clinical use since the late 1800s. It functions as a prodrug that is bioactivated by formation of an enzyme-based thionitrate, E-Cys-NO. This intermediate reportedly decomposes to release NO and NO but their relative yields remain controversial.
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December 2024
School of Electrical Engineering, Aalto University, P.O. Box 15500, Aalto, FI-00076, Finland.
Engineering plastics are finding widespread applications across a broad temperature spectrum, with additive manufacturing (AM) having now become commonplace for producing aerospace-grade components from polymers. However, there is limited data available on the behavior of plastic AM parts exposed to elevated temperatures. This study focuses on investigating the tensile strength, tensile modulus and Poisson's ratio of parts manufactured using fused filament fabrication (FFF) and polyetheretherketone (PEEK) plastics doped with two additives: short carbon fibers (SCFs) and multi-wall carbon nanotubes (MWCNTs).
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