A Quintic Spline-Based Computational Method for Solving Singularly Perturbed Periodic Boundary Value Problems by Puvaneswari Arumugam, Valanarasu Thynesh, Chandru Muthusamy, Higinio Ramos

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Investigation of the relationship between teachers’ inquiry-based teaching self-efficiency for STEM+S and their computational thinking skills by Başaran Mehmet, İlter Merve

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Computational Studies of 4-Formylpyridinethiosemicarbazone and Structural and Biological Studies of Its Ni(II) and Cu(II) Complexes by Mydhili P. Sripathi, Sireesha Berely, Chittireddy Venkata Ramana Reddy

“…To understand the stability, chelation behaviour, and biological activity of 4-Formylpyridinethiosemicarbazone (H4FPT), it is important to recognize its interactive geometry. Hence, computational studies on geometrically optimized structures of thione and thiol forms of H4FPT were performed. …”
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Computational analysis of Allium sativum compounds to identify thermolabile hemolysin inhibitors against Vibrio alginolyticus in shrimp by Sayed Mashequl Bari, Nafees Bin Reza, Meamaching Marma, Sk. Foisal Ahmed, Md Arif Hussain, Md Naimuddin Jabed, Md Alomgir Hossain, Maria Manzoor, Md Saiful Alam

“…This study aims to identify promising biologically active compounds from garlic (Allium sativum) that can inhibit the virulent protein thermolabile hemolysin of V. alginolyticus, which causes shrimp vibriosis. Various computational approaches, including molecular docking, pharmacokinetic analysis, and molecular dynamics simulation, were conducted to predict the compounds that can inhibit the phospholipase and hemolysis activities of the thermolabile hemolysin protein. …”
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Computational study of conjugate heat transfer and entropy generation of hybrid nano-particles in an enclosure with solid block by Shahid Ullah, Ghulam Saddiq, Afraz Hussain Majeed, Hammad Alotaibi, Ahmed S. Hendy, Mohamed R. Ali

“…The purpose of this paper is to investigate conjugate heat transfer of mixed convection and entropy generation of nanofluid in the presence of an external magnetic field via computational approach in an enclosure with a solid block. …”
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Effects of the crystallinity of fluoropolymer binders components in polymer-bonded explosives on shock Hugoniots: A computational study by Wen-yu Zhou, Hua-rong Li, Yong Han, Liu Liu, Hong Yang, Yang Zhou

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Computational Fluid Dynamics Analysis of Temperature Distribution in Solar Distillation Panel with Various Flat Plate Materials by Trismawati Trismawati, Hendry Y. Nanlohy, Helen Riupassa, Susi Marianingsih

“…To examine the temperature distribution and performance of the solar stills, researchers employed computational fluid dynamics simulations (Ansys R15.0). …”
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Experimental and computational studies of Schiff bases derived from 4-aminoantipyrine as potential antibacterial and anticancer agents by Johana Zúñiga-Miranda, Rebeca González-Pastor, Saskya E. Carrera-Pacheco, Cristina Rodríguez-Pólit, Carlos Barba-Ostria, Antonio Machado, Linda P. Guamán, Christian D. Alcivar-León, Jorge Heredia-Moya

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Resveratrol-Based Carbamates as Selective Butyrylcholinesterase Inhibitors: Design, Synthesis, Computational Study and Biometal Complexation Capability by Maja Sviben, Ilijana Odak, Danijela Barić, Milena Mlakić, Ottó Horváth, Lajos Fodor, Sunčica Roca, Ivana Šagud, Irena Škorić

“…Based on the obtained in silico, experimental and computational results on biological activity in the present work, new carbamates <b>1</b> and <b>7</b> represent potential selective BChE inhibitors as new therapeutics for neurological disorders.…”
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A novel computational analysis of boundary-driven two-dimensional heat flow with internal heat generation by Muhammad Abid, Madiha Bibi, Nasir Yasin, Muhammad Shahid

“…Computational Algorithms and Numerical Dimensions…”
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Assessing the global dynamics of Nipah infection under vaccination and treatment: A novel computational modeling approach. by Fang Yu, Muhammad Younas Khan, Muhammad Bilal Riaz, Saif Ullah, Muhammad Farooq

“…The present findings will be beneficial in employing advanced computational approaches in modeling and control of NiV outbreaks.…”
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Design, Synthesis, Characterization, and Computational Studies on Benzamide Substituted Mannich Bases as Novel, Potential Antibacterial Agents by Suman Bala, Neha Sharma, Anu Kajal, Sunil Kamboj

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Basal ganglia components have distinct computational roles in decision-making dynamics under conflict and uncertainty. by Nadja R Ging-Jehli, James F Cavanagh, Minkyu Ahn, David J Segar, Wael F Asaad, Michael J Frank

“…Through the application of novel computational modeling tools in tandem with direct neural recordings from human BG areas, we find that neural dynamics in the theta band manifest as variations in a collapsing decision boundary as a function of conflict and uncertainty. …”
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Computational studies and structural insights for discovery of potential natural aromatase modulators for hormone-dependent breast cancer by Snehal Aditya Arvindekar, Sanket Rathod, Prafulla Balkrishna Choudhari, Pradnya Kiran Mane, Aditya Umesh Arvindekar, Suraj Narayan Mali, Bapu Thorat

“…Methods: The present computational study employed an in silico approach in the identification of natural actives targeting the aromatase enzyme from a structurally diverse set of natural products. …”
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1,5-Dichloroethanoanthracene Derivatives As Antidepressant Maprotiline Analogs: Synthesis, DFT Computational Calculations, and Molecular Docking by Mujeeb A. Sultan, Renjith Raveendran Pillai, Eman Alzahrani, Ahmed A. Alsofi, Sadam A. Al-Qadhi, Rami Adel Pashameah

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A Combined Computational and Experimental Study on Nanoparticle Transport and Partitioning in the Human Trachea and Upper Bronchial Airways by Jiawei Ma, Wei-Chung Su, Yi Chen, Yidan Shang, Jingliang Dong, Jiyuan Tu, Lin Tian

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Computational numerical analysis of drag force on a standard AeroDesign wing in accordance with winglet application by Hygor Vaz de Souza Barbosa, Júlio Cesar Costa Campos, Antonio Marcos de Oliveira Siqueira, Caio Vieira Hilário, Natália de Oliveira Faria, Bruno de Almeida Dias, Pedro Henrique Barbosa Contin Moreira

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Computational design of multi-epitope vaccine against Hepatitis C Virus infection using immunoinformatics techniques. by Sara Zubair, Fahed Parvaiz, Turki Abualait, Khalid Al-Regaiey, Tasneem Anwar, Mahnoor Zafar, Imdad Kaleem, Shahid Bashir

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The Study about Relationship of Direct Form of Topological Indices via M-Polynomial and Computational Analysis of Dexamethasone by Sabir Hussain, Farkhanda Afzal, Deeba Afzal, Dhana Kumari Thapa

“…In this article, the chemical structure of dexamethasone is explored using computational techniques such as topological indices. …”
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Quality of Service of Routing Protocols in Wireless Sensor Networks: A Review by Muhammad Asif, Shafiullah Khan, Rashid Ahmad, Muhammad Sohail, Dhananjay Singh

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