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Data-Driven Equation-Free Dynamics Applied to Many-Protein Complexes: The Microtubule Tip Relaxation.
Biophys J
January 2025
Department of Chemistry, Chicago Center for Theoretical Chemistry, The James Franck Institute, and Institute for Biophysical Dynamics, The University of Chicago, Chicago, Illinois 60637, United States. Electronic address:
Microtubules (MTs) constitute the largest components of the eukaryotic cytoskeleton and play crucial roles in various cellular processes, including mitosis and intracellular transport. The property allowing MTs to cater to such diverse roles is attributed to dynamic instability, which is coupled to the hydrolysis of GTP (guanosine-5'-triphosphate) to GDP (guanosine-5'-diphosphate) within the β-tubulin monomers. Understanding the equilibrium dynamics and the structural features of both GDP- and GTP-complexed MT tips, especially at an all-atom level, remains challenging for both experimental and computational methods because of their dynamic nature and the prohibitive computational demands of simulating large, many-protein systems.
View Article and Find Full Text PDFGenome-wide identification of CRF gene family members in four rice subspecies and expression analysis of OsCRF members in response to cold stress at seedling stage.
Sci Rep
November 2024
Institute of Crop Cultivation and Tillage, Heilongjiang Academy of Agricultural Sciences, Harbin, 150028, China.
Cytokinin Response Factors (CRFs) play a crucial role in plant growth and development, hormone signaling, and responses to biotic and abiotic stresses. However, there have been no reports on CRF genes in rice until now. We analyzed the CRF families in four rice subspecies: cultivated rice Oryza sativa Japonica Group, Oryza sativa Indica Group, and Oryza sativa (circum-Aus1 var.
View Article and Find Full Text PDFImpact of digital infrastructure construction on financial development: Evidence from the "broadband China" Strategy.
Heliyon
August 2024
Faculty of Finance, City University of Macau, Macau, 999078, China.
The "Broadband China" has enabled China to achieve leapfrog development in the construction of its high-speed broadband networks, thereby accelerating the development of digital infrastructure and unleashing the potential for financial sector growth. This has created a strong impetus for economy to shift towards high-quality development. An in-depth understanding of the empirical correlation between the development of digital infrastructure and financial progress is absent, leaving an unexplored domain of research concerning the impact of the "Broad China" strategy on financial agglomeration (), financial scale (), and digital finance ).
View Article and Find Full Text PDFLeapfrog Safety Grades in California Hospitals: A Data Analysis.
Am J Med Qual
September 2024
Department of Research, College of Medicine, California Northstate University, Elk Grove, CA.
Within the realm of health care quality assessment, quality assurance and safety grading systems play a vital role in gauging hospital performance and communicating results to the general public. The primary objective of this review is to analyze the hospitals in California through the lens of Leapfrog Safety Grades and discuss the complex interplay of geographical location, hospital size, and larger system affiliation status. Leapfrog Safety Grades, hospital characteristics, and geographic information were collected.
View Article and Find Full Text PDFTheoretical Study on the Regioselectivity of Leapfrog B and B Boron Sheets in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity Indices.
J Phys Chem A
March 2024
Department of General Chemistry (ALGC), VUB, Brussels 1050, Belgium.
A combined computational and interpretational DFT study is performed to investigate the regioselectivity of B and B leapfrog boron sheets upon reaction with XH-type electrophiles and nucleophiles (X = N, P, As, B, Al). The M062X, B3LYP, and B3LYP-D3 functionals are used combined with the 6-31+G(d,p) basis. The molecular electrostatic potential (MEP), Fukui functions, and the dual descriptor are employed to predict the local reactivity of B and B.
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