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541 articles for “Computational methods”
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Ligand Based Drug Virtual Screening in Computer Aided Drug Design: A Review
Abstract: Computer-Aided Drug Design (CADD) has revolutionized the drug discovery process by providing efficient and cost-effective methods for identifying potential drug candidates. Within CADD, ligandbased virtual screening techniques play a pivotal role in the early stages of drug discovery. This review provides a comprehensive overview of ligand-based drug virtual screening, focusing on its principles, applications, challenges, and future directions. Fundamentals of ligand-based virtual screening, including pharmacophore-based methods, similarity searching, and machine …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 11, Issue 2, 2024 · pp. 1–8 Read article
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Use of library Internet Facilities
Abstract: Libraries have transformed into vibrant centers of digital connectivity and knowledge dissemination in the ever-evolving information technology landscape. Fundamental to this transformation is the unavoidable mix of the Web into library administrations and assets. A new age of accessibility, empowerment, and creativity that is unrestricted by the physical limitations of physical buildings has begun with the usage of the Internet in libraries. Supporters presently have the world readily available, with …
Published in Journal of Advancements in Library Sciences · Vol. 11, Issue 3, 2024 · pp. 33–40 Read article
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Hybrid Battery Swapping Station for EV Using Robotic Arms
Abstract: The Robotic Arm-Based Battery Swapping System indeed marks a significant stride in merging technology and sustainability. Its integration of robotics, computer vision, and renewable energy positions it as a ground breaking solution, reshaping the landscape of electric vehicle charging. This automated approach not only tackles inefficiencies in current methods but also serves as a blueprint for future advancements in the domain. The inefficiencies inherent in conventional electric vehicle battery replacement …
Published in International Journal of Advanced Robotics and Automation Technology · Vol. 2, Issue 1, 2024 · pp. 16–23 Read article
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Synthesis, spectroscopic, crystal structure, Hirshfeld surface, computational, and biological investigations on Isophorone derivatives: 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one
Abstract: FT-IR, 1H NMR, and 13C NMR spectroscopy were among the spectroscopic methods used to synthesize and analyze 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one, a new isophorone derivative. Single-crystal X-ray diffraction (SCXRD) was used to determine the crystal structure, which showed that the molecule crystallizes in a monoclinic system (space group P121/c1) with packing configurations and intermolecular interactions. To learn more about the non-covalent interactions influencing the crystal packing, Hirshfeld surface analysis was used. In order …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 51–69 Read article
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Energy-Aware Task Offloading in 6G-Enabled Mobile Edge Computing Environments
Abstract: The emergence of sixth-generation (6G) wireless communication networks is expected to revolutionize future mobile systems by enabling ultra-low latency communication, extremely high data rates, massive connectivity, and intelligent network management. In parallel, mobile edge computing (MEC) has gained significant attention as a promising paradigm that brings computational resources closer to end users, thereby alleviating network congestion and reducing end-to-end service delays. Despite these advantages, the rapid growth of computation-intensive and …
Published in International Journal of Mobile Computing Technology · Vol. 4, Issue 1, 2026 · pp. 14–19 Read article
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Simulation of Adder Circuit Using Reversible Gates in Verilog HDL
Abstract: The emerging field of quantum computing uses quantum logic gates. The reversibility of logic gates is an important aspect of quantum logic gates used in VLSI and quantum computing. Reversibility ensures that power consumption is minimized. This study explores the field of reversible logic and utilizes Peres gate to develop a full adder circuit that shows a significant reduction in power consumption in simulations performed in Xilinx Vivado. We have …
Published in Journal of VLSI Design Tools and Technology · Vol. 14, Issue 3, 2024 · pp. 32–38 Read article
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Dynamics of Prime Gap Sets: An Algorithmic and Set-Theoretic Approach
Abstract: In this paper, we present a theorem and an efficient algorithm for computing all prime numbers up to a given integer X. Our theorem establishes a relationship between the primes up to X and those up to (X+1)2, providing a theoretical foundation for the algorithm. The proposed method improves upon the traditional Sieve of Eratosthenes by dynamically eliminating multiples of primes using only the remaining numbers in the set, thereby …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 12, Issue 3, 2025 · pp. 20–25 Read article
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Yoga Posture Detection and Correction
Abstract: Our project introduces a pioneering method for enhancing yoga practice through real-time pose correction, utilizing cutting-edge computer vision technology. Originating in India 5000 years ago, yoga offers profound benefits for both body and mind, yet with the modern lifestyle's increasing stress levels, its popularity has surged globally. While various avenues exist for learning yoga, including classes at yoga centers and self-learning through books and videos, many individuals struggle to identify …
Published in Journal of Operating Systems Development & Trends · Vol. 11, Issue 2, 2024 · pp. 1–8 Read article
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Air Flow Analysis in Sensor-Based Aircraft Wings Design
Abstract: Airflow analysis, at its core, is an application of fluid mechanics principles to the specific study of air movement. Airflow analysis plays a crucial role in diverse fields, impacting everything from the comfort of our homes to the efficiency of jet engines. The pursuit of more efficient, safer, and more responsive aircraft wings is a constant driver of innovation in the aerospace industry. The quest for more efficient, safer, and …
Published in Recent Trends in Fluid Mechanics · Vol. 12, Issue 2, 2025 · pp. 29–39 Read article
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Comparative Cooling Analysis of EV Battery Packs using MATLAB Simscape
Abstract: Since electric vehicles (EVs) transition to high- voltage systems to enable quicker charging and enhanced delivery of power, the high heat emitted during rapid discharge is a significant challenge. This paper presents a direct comparative study of passive air cooling and active liquid cooling of a lithium-ion battery pack. Due to the high cost of constructing the physical prototypes, we created a computationally efficient and hierarchical virtual prototype in MATLAB …
Published in International Journal of Electrical and Communication Engineering Technology · Vol. 4, Issue 2, 2026 Read article
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Future-proofing the Mind: Fostering Robust Innovation in Soft Computing and Computational Intelligence
Abstract: This study examines the impact of Computer Science (CS) and Soft Computing (SC) on a few scholarly disciplines and way of life. The study considers points to improve calculation execution by utilizing computational intelligence (CI) techniques, progressing the steadiness of statistical classification (SC) models, and optimizing them through algorithmic upgrades. These adjustments encourage the method of altering, selecting, and creating oneself, indeed in challenging circumstances. The effect on work, protection, …
Published in Journal of Mobile Computing, Communications & Mobile Networks · Vol. 11, Issue 1, 2024 · pp. 1–6 Read article
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An Open Labelled Parallel Arm Randomized Clinical Trial of Tuvaraka Oil Prepared By Two Different Method In The Management of Pama
Abstract: In Ayurveda, all skin diseases have classified mainly into two groups i.e., Mahakushtha (major skin diseases) and Kshudrakushtha (minor skin diseases). Tuvaraka [Hydnocarpus laurifolia (Dessnt).Sleumer] is one among the most useful drugs for the treatment of Kushtha (Various skin diseases) and Madhumeha (Diabetes Melitus). Pama is described under Kshudra Kushtha. which can be correlates with scabies. Aim: To evaluate the clinical efficacy of Tuvaraka oil prepared by modified method and …
Published in Research & Reviews : Journal of Herbal Science · Vol. 13, Issue 1, 2024 · pp. 29–36 Read article
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A Comprehensive Review of Metabolite
Abstract: Metabolites, tiny chemicals, are essential to physiology, signalling, and biological function. This extensive review classifies metabolites into primary and secondary categories by biological relevance. Alkaloids, flavonoids, and terpenoids contribute to ecological interactions and defence systems, while amino acids, nucleotides, and carbohydrates directly affect development and cellular function. The article examines metabolic pathways, mass spectrometry, NMR, and metabolomics, a growing field. Metabolites play a crucial role in various scientific and practical …
Published in Emerging Trends in Metabolites · Vol. 2, Issue 2, 2025 Read article
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Aerodynamic Optimization of UAV Wings Using Machine Learning
Abstract: Unmanned Aerial Vehicles (UAVs) are increasingly deployed across defense, transportation, agriculture, and environmental monitoring, demanding improved aerodynamic efficiency to enhance endurance, stability, and payload capacity. Traditional aerodynamic optimization approaches, relying on computational fluid dynamics (CFD) simulations and wind tunnel experiments, are often time-consuming and computationally expensive. This study proposes a machine learning (ML)-driven framework for the aerodynamic optimization of UAV wing geometries, aiming to significantly reduce design cycles while improving …
Published in International Journal on Drones · Vol. 2, Issue 1, 2026 · pp. 1–7 Read article
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Taguchi Design for Optimization of Reinforcement at Toe area of Carbon Fiber Foot Plate
Abstract: This paper uses the Taguchi method to design experiments to determine the effect of various factors, such as fiber orientation, fiber type, and number of layers, on the reinforcement at the toe area. The experiments are Taguchi method, which allows for identifying the optimal combination of factors that minimize the carried out using a combination of computer simulations and physical tests. The results are analyzed using the variability in the …
Published in Journal of Polymer & Composites · Vol. 11, Issue 8, 2023 · pp. 115–121 Read article
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Revolutionizing Agriculture: Botani Scan’s Deep Learning for Plant Disease Diagnosis
Abstract: Crop disease detection is of key importance because of its role in food safety but infrastructural issues still hamper diagnosis in most regions worldwide. Accurate plant disease identification is essential to secure food, predicting yield decline and managing epidemic outbursts. The advent of digital cameras along with the progress of computer vision technology brings to light the mounting demands for the development of automated disease detection methods in precision agriculture, …
Published in Journal of Telecommunication, Switching Systems and Networks · Vol. 11, Issue 1, 2024 Read article
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Thermal Performance of Concentrating Solar Panels
Abstract: The study shows a detailed analysis of the thermal performance of concentrating solar panels and the temperature increase due to concentrated solar radiation. This work proposes a configuration to reduce temperature rise, maintain good panel efficiency, and increase output power. The configuration is based on a sandwich structure including a phase change material (PCM), which absorbs the thermal energy excess generated by the concentrated solar radiation onto the PV panel. …
Published in Journal of Thermal Engineering and Applications · Vol. 12, Issue 1, 2025 · pp. 1–10 Read article
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Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 Read article
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Comprehensive Review of the Fundamental and Functional Properties of Crystalline Materials
Abstract: Crystalline materials, characterized by their highly ordered atomic arrangements, serve as the backbone of modern engineering and technology. This review provides a detailed examination of their diverse properties, categorized into mechanical, thermal, electrical, and optical domains. We analyze fundamental mechanical parameters such as the elastic modulus, yield strength, and fracture toughness, alongside functional behaviors like fatigue and creep. The discussion extends to thermal transport and expansion, electrical conductivity and resistivity, …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 20–24 Read article
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Time Series Methods in Meteorology: A Review of Predictive Models and Applications
Abstract: The accurate prediction of time series data holds substantial significance in various fields, enabling informed decision-making and resource optimization. In this study, temperature variations over time are predicted using the Autoregressive Integrated Moving Average (ARIMA) model. Reliable temperature projections are more important now than ever because of climate change and its effects. For time series prediction problems, the ARIMA model—which is well-known for its ability to capture temporal dependencies in …
Published in Research & Reviews : Journal of Space Science & Technology · Vol. 13, Issue 2, 2024 · pp. 35–46 Read article