Integrating machine learning and structure-based approaches for repurposing potent tyrosine protein kinase Src inhibitors to treat inflammatory disorders by Muhammad Waleed Iqbal, Muhammad Shahab, Zakir ullah, Guojun Zheng, Irfan Anjum, Gamal A. Shazly, Atrsaw Asrat Mengistie, Xinxiao Sun, Qipeng Yuan

“…Due to the specificity and selectivity problems of previously discovered inhibitors like dasatinib and bosutinib, we employed an integrated machine learning and structure-based drug repurposing strategy to find novel, targeted, and non-toxic Src kinase inhibitors. …”
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An Age-Structured Model of HIV Infection that Allows for Variations in the Production Rate of Viral Particles and the Death Rate of Productively Infected Cells by Patrick W. Nelson, Michael A. Gilchrist, Daniel Coombs, James M. Hyman, Alan S. Perelson

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Deep learning reconstruction of zero-echo time sequences to improve visualization of osseous structures and associated pathologies in MRI of cervical spine by Malwina Kaniewska, Fabio Zecca, Carina Obermüller, Falko Ensle, Eva Deininger-Czermak, Maelene Lohezic, Roman Guggenberger

“…Key Points Conventional MRI encounters challenges with osseous structures due to low signal-to-noise ratio. Zero-echo-time (ZET) sequences offer CT-like images of the C-spine but with lower quality. …”
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Soluble fibres modulate dough rheology and gluten structure via hydrogen bond density and Flory-Huggins water interaction parameter by Stefano Renzetti, Lisa Lambertini, Helene C.M. Mocking-Bode, Ruud G.M. van der Sman

“…This study hypothesized that soluble fibres influence gluten structure and dough rheology by acting as plasticizers and humectants. …”
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Investigation on energy absorption characteristics of thin-walled structures fabricated by bound metal deposition without using debinding chemical reagents by Y.F. Zhu, F.C. Liu, Y.D. Wang, H. Zhang, P. Xue, Z. Zhang, L.H. Wu, D.R. Ni, B.L. Xiao, Z.Y. Ma

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Numerical Simulation of Flow-Induced Vibration of Three-Dimensional Elastic Heat Exchanger Tube Bundle Based on Fluid-Structure Coupling by Shiqin Ai, Chao Sun, Yuechan Liu, Yuelin Li

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High Hydrostatic Pressure-Assisted Extraction of High-Molecular-Weight Melanoidins from Black Garlic: Composition, Structure, and Bioactive Properties by Yimeng Zhao, Yongli Jiang, Yanfang Ding, Danfeng Wang, Yun Deng

“…Moreover, FT-IR spectroscopy indicated high pressure altered the melanoidin structures to different degrees. It was found that an application of 300 MPa for 5 min was the optimal treatment protocol under all operating conditions.…”
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Structure and Electrochemical Properties of a Mechanochemically Processed Silicon and Oxide-Based Nanoscale Composite as an Active Material for Lithium-Ion Batteries by Norihiro Shimoi, Kazuyuki Tohji

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Designing Load-Bearing Bio-Inspired Materials for Simultaneous Static Properties and Dynamic Damping: Multi-Objective Optimization for Micro-Structure by Bo Dong, Yunfei Jia, Wei Wang

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A New Genetic Algorithm Methodology for Design Optimization of Truss Structures: Bipopulation-Based Genetic Algorithm with Enhanced Interval Search by Tugrul Talaslioglu

“…A new genetic algorithm (GA) methodology, Bipopulation-Based Genetic Algorithm with Enhanced Interval Search (BGAwEIS), is introduced and used to optimize the design of truss structures with various complexities. The results of BGAwEIS are compared with those obtained by the sequential genetic algorithm (SGA) utilizing a single population, a multipopulation-based genetic algorithm (MPGA) proposed for this study and other existing approaches presented in literature. …”
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Prediction of biochemical prostate cancer recurrence from any Gleason score using robust tissue structure and clinically available information by Laura E. Marin, Daniel I. Zavaleta-Guzman, Jessyca I. Gutierrez-Garcia, Daniel Racoceanu, Fanny L. Casado

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Crystal structure of N-(Ar)-N′-(Ar′)-formamidine, C14H12Br2N2O by Munzeiwa Wisdom A., Zamisa Sizwe J., Omondi Bernard

“…Zeitschrift für Kristallographie - New Crystal Structures…”
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Structural Disruption of Cilia and Increased Cytoplasmic Tubulin in Biliary Atresia—An Exploratory Study Focusing on Early Postoperative Prognosis Following Portoenterostomy by Patrícia Quelhas, Rui Oliveira, Carlos Kieling, Sandra Vieira, Jorge dos Santos

“…While the PC ratio per biliary structure (cilia ratio status, CRs) was similar between BA patients and controls, PC length was decreased in BA patients. …”
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Machine learning based QSAR and Molecular Dynamics simulations in the structural design and mechanism of action of imidazole derivatives with anti-melanoma activity by Rosalvo Ferreira de Oliveira Neto, Sérgio Ruschi Bergamachi Silva, Cintia Emi Yanaguibashi Leal, Edilson Beserra de Alencar Filho

“…Here, Artificial Intelligence algorithms were used to select molecular descriptors and build a QSAR model, highlighting structural characteristics related to enhanced molecular potency. …”
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DFT and TD-DFT Study of Structure and Properties of Semiconductive Hybrid Networks Formed by Bismuth Halides and Different Polycyclic Aromatic Ligands by Y. Belhocine, M. Bencharif

“…The structure and spectroscopic properties of polycyclic aromatic ligands of 2,3,6,7,10,11-hexakis (alkylthio) triphenylene (alkyl: methyl, ethyl, and isopropyl; corresponding to the abbreviations of the molecules: HMTT, HETT and HiPTT) were studied using density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods with triple-zeta valence polarization (TZVP) basis set. …”
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Factors affecting the relapse of maxilla and soft tissues of nose, upper lip and velopharyngeal structures after maxillary advancement in cleft patients. by Sirada Chaisiri, Raweewan Arayasantiparb, Kiatanant Boonsiriseth

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The crystal structure of (4-fluorophenyl)(5-(hydroxymethyl)furan-2-yl)methanol, C12H11FO3 by Gao Yanrong, Ran Hui, Tang Wenqiang

“…Zeitschrift für Kristallographie - New Crystal Structures…”
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Lower Cambrian Organic-Rich Shales in Southern China: A Review of Gas-Bearing Property, Pore Structure, and Their Controlling Factors by Gang Li, Ping Gao, Xianming Xiao, Chengang Lu, Yue Feng

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Polyphenol-Protein Complexes and Their Consequences for the Redox Activity, Structure and Function of Honey. A Current View and New Hypothesis – a Review by Brudzynski Katrina, Maldonado-Alvarez Liset

“…There is increasing evidence that protein complexation by honey polyphenols is changing honey structure and function. This relatively less investigated filed of honey research is presented in a context of known mechanism of formation of the stable polyphenol-protein complexes in other foods. …”
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Comparing the Structural and Physicochemical Properties of Highland Barley <i>β</i>-Glucan from Different Sources: A Focus on Color by Ping Yu, Xuemin Kang, Pengfei Liu, Zhengzong Wu, Yue Cheng, Bo Cui, Wei Gao

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