Mechanism of intestinal tight junction transmembrane proteins interaction with egg white peptides RVPSL and QIGLF by Zhipeng Yu, Di Liu, Long Ding, Zhiyang Du, Wenzhu Zhao

“…Residues Gln75, Asn149, Gln156, and Arg158 in Claudin-4; residues Lys31 and Glu48 in Claudin-9; and residues Ile127, Gln156, Gly158, and Pro161 in JAM-1 might play a vital role in the paracellular absorption of active peptides, and hydrogen bond was the main interaction force. Further, the analysis of root mean square deviation (RMSD), root mean square fluctuation (RMSF), radius of gyration (Rg), and solvent accessible surface area (SASA) suggested that the docking complexes exhibited good stability during the simulation. …”
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Exploring disulfiram mechanisms in renal fibrosis: insights from biological data and computational approaches by Vishal S. Patil, Chandragouda R. Patil, Harun M. Patel, Anoop Kumar

“…Molecular dynamics (MD) simulation (100 ns) was performed to infer protein–ligand stability, and conformational changes were analyzed by free energy landscape (FEL).ResultsA total of 78 targets were found to be common between DSF and RF, of which NFKB, PIK3CA/R1, MTOR, PTGS2, and MMP9 were the core genes. …”
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Forecasting regional carbon prices in china with a hybrid model based on quadratic decomposition and comprehensive feature screening. by Yaoyang Yi

“…Nonetheless, due to the complexity and non-linear nature of the carbon price, its accurate prediction has always been a research difficulty. …”
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An Artificial-Neural-Network-Based Direct Power Control Approach for Doubly Fed Induction Generators in Wind Power Systems by Chaimae Dardabi, Santiago Cóbreces Álvarez, Abdelouahed Djebli

“…The inherent complexity of wind energy systems has necessitated the development of sophisticated control methodologies to optimize operational efficiency. …”
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High school students’ perceptions of professional future: results of the application of the sentence completion method by Bieliaieva V. O.

“…The systematization and analysis of the answers revealed that the key values in the profession for high school students are financial stability, emotional satisfaction from work, professional development, and psychological safety, as well as autonomy and flexibility as requirements for modern professional life. …”
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Thermal runaway and distribution effects on a three-step exothermic reaction of magneto-Casson fluid with chemical kinetics and convective channel wall by A.D. Ohaegbue, S.O. Salawu, R.A. Oderinu, A.O. Akindele, P. Adegbite

“…The main findings revealed that a three-step reaction leads to system complexity, where the reaction intermediate stabilizes and amplifies thermal effects depending on the activation energy. …”
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Research on Underwater Sensor Network Adaptive Clustering Algorithm for Marine Environment Monitoring by Libin Xue, Chunjie Cao, Rongxin Zhu

“…When the energy consumption of the CH node is too much and needs to be rotated, MEMAC, through a CH rotation mechanism and a comprehensive analysis of the overall remaining energy of the network, further optimizes the CH selection strategy while ensuring network stability. …”
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Research on Collaborative Governance of Cross-Domain Digital Innovation Ecosystems Based on Evolutionary Game Theory by Zeyu Tian, Hua Zou, Shuo Yang, Qiang Hou

“…The complexities inherent in resource management within cross-domain digital innovation ecosystems have significantly intensified, giving rise to heightened challenges in collaborative interactions among diverse stakeholders, thereby directly impacting systemic stability. …”
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Designing of a multiepitope-based vaccine against echinococcosis utilizing the potent Ag5 antigen: Immunoinformatics and simulation approaches. by Rehana Parvin, Md Habib Ullah Masum, Homaira Pervin Heema, Aklima Akter, Mohammad Alamgir Hossain, A M A M Zonaed Siddiki

“…The molecular dynamic simulations confirmed the structural stability of the docked complexes under a virtual physiological system. …”
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Emerging trends in synthesis, characterization, and mechanism of action of antibody-drug and antibody-nanoparticle conjugates by Tanu Dixit, Annamraju Aswini, Harshal Nikam, Anuradha Vaidya, Selvan Ravindran

“…Linker chemistry innovations, such as PEGylated maleimides balancing hydrophilicity and stability, are highlighted alongside emerging payloads. …”
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Exploring QSAR, molecular docking, molecular dynamics and pharmacokinetics for 3,4-Dihydro-2H,6H-pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives targeting Plasmodium falciparu... by Naveen Dhingra, Aman Mourya, Harlal Singh, Navnit Prajapati

“…Molecular dynamics simulations provide a dynamic perspective on ligand–protein complexes' stability and conformational changes over time. …”
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Preparation of α-zein loaded with baicalincomposites: A study on their in vitro simulated digestive behavior and molecular dynamics simulation by RunCheng Zhou, QiLin Liang, Han Lei, Tianci Liang, Simin Chen, Xin Chen

“…Infrared spectroscopy analysis indicated that α-zein and baicalin mainly formed complexes through hydrogen bonding, electrostatic and hydrophobic interactions. …”
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Two decades of viral marketing landscape: Thematic evolution, knowledge structure and collaboration networks by Omer Gibreel, Mohamed M. Mostafa, Ream N. Kinawy, Ahmed R. ElMelegy, Raghid Al Hajj

“…Overall, the diverse nature of viral marketing and evolving research landscape were notable across journals of a multidisciplinary nature; this suggests that viral marketing research is likely multidisciplinary, involving components of marketing, social network analysis, computational systems, complex system dynamics, data science, and engineering.…”
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‘QuickDASH’ to find unique genes and biological processes associated with shoulder osteoarthritis: a prospective case–control study by Samuel J. Lynskey, Stephen D. Gill, Sean L. McGee, Mark Ziemann, Richard S. Page

“…Capsular tissue biopsies from shoulder OA patients were compared with those from a control group undergoing shoulder stabilization for recurrent instability. This investigation forms part of a larger transcriptomic analysis of painful shoulder conditions which will address the current gap in knowledge regarding the molecular and genetic underpinnings of shoulder OA, rotator cuff tears and cuff-tear arthropathy. …”
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Comparison of Steinmann Pin and Polymethyl Methacrylate Pin in Experimental Fractures of Humerus in Pigeon Models by Alireza Kaveh Aski, Mohammad Mahdi Molaei, Omid Azari, Reza Kheirandish, Dariush Vosough

“…These fractures were then stabilized with either Steinman pins or PMMA pins. Radiographic examinations and histological analysis were performed 2, 4, and 6 weeks post-surgery to assess bone healing progress in both groups. …”
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Enhancing zinc-air battery performance through ph-tuned biopolymeric hydrogels in near-neutral electrolytes by Sara Vaca-Chacón, Vivian Morera Córdova, José Béjar, Lorena Álvarez-Contreras, Juan P. Tafur

“…Remarkably, at a near-neutral pH of 7, the polymer gel electrolyte demonstrated superior ionic conductivity (0.11 S·cm−1), specific capacity (675 mAh·g−1), lower volume resistances and higher specific capacitances. Thermal analysis revealed increased stability of the polymer gel systems at elevated pH levels. …”
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Immune Regulation and Disulfidptosis in Atherosclerosis Influence Disease Progression and Therapy by Wei Lu, Zhidong Zhang, Gang Qiao, Gangqiang Zou, Guangfeng Li

“…<b>Methods:</b> Single-cell RNA sequencing (scRNA-seq) was employed to conduct a comprehensive mapping of immune cell enrichment and interactions within atherosclerotic plaques, aiming to investigate the cellular and molecular complexities of these structures. This approach facilitated a deeper understanding of the heterogeneities present in smooth muscle cells, which were subsequently analyzed using pseudotime trajectory analysis to monitor the developmental trajectories of smooth muscle cell (SMC) subpopulations. …”
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Anticancer activity of Stemona tuberosa (wild asparagus) against type-II human lung adenocarcinoma (A549) cells and identification of SRC inhibitor using integrated network pharmac... by C. Lalmuansangi, Lalfakawmi, Fanai Nghakliana, Hmingremhlua Sailo, Lalchhandami Tochhawng, Amit Kumar Trivedi, Kiran R. Kharat, Balachandar Vellingiri, Nachimuthu Senthil Kumar, Zothan Siama

“…Among the various compounds identified from S. tuberosa extract, 4-Azatricyclo [4.3.1.13,8] undecan-5-one (ADE) (− 10.88 kcal/mol) and Dihydro-normorphine, 3-desoxy- (DNY) (− 10.83 kcal/mol) exhibited notable binding affinities for SRC. Further analysis using molecular dynamics simulations (100 ns) validated the stability of SRC-ligand complexes, with RMSD of 1.8 and 2.2 Å for ADE and DNY, respectively, alongside the establishment of essential hydrogen bonds with pivotal residues, including ASP408, ALA403, and THR438. …”
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Vertical distribution patterns and potential activities of methanogenic and methanotrophic communities in permafrost peatlands of Greater Khingan Mountains by Anwen Liu, Weiping Yin, Dalong Ma, Xu Wang, Shuping Kan

“…Co-occurrence network analysis revealed that environmental filtering had a slight effect on methanogen communities, but the complexity and stability of methanotroph communities decreased from TP to FP. …”
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Screening of novel therapeutic targets and chimeric vaccine construction against antibiotic-resistant Yersinia Enterocolitica by Mohibullah Shah, Mohibullah Shah, Rouman Fatima, Asifa Sarfraz, Muhammad Umer Khan, Hasan Ejaz, Maqsood Alam, Shahid Aziz, Umar Nishan, Abid Ali, Ahmed Bari, Suvash Chandra Ojha

“…The MD simulations, NMA, binding free energy, PCA, and DCCM analysis ensured the stability of complexes. Immune simulations predicted a high immunological profile for the V2 and V4 constructs. …”
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