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541 articles for “Computational methods”
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Integrated Perspectives on Fluid Mechanics and Energy Transport in Complex Flow Systems
Abstract: Fluid mechanics plays a central role in understanding the transport of mass, momentum, and energy in complex flow systems encountered in both natural and engineered environments. This review presents an integrated perspective on fluid behavior by combining fundamental principles with modern approaches to energy transport analysis. The study emphasizes the significance of conservation laws and their application to diverse flow regimes, including laminar, turbulent, compressible, and multiphase flows. Energy transport …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 1, 2026 · pp. 22–31 Read article
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A Review on Anesthetic Drug Discovery with Computer Aided Drug Design
Abstract: In contemporary medicine, anaesthesia is essential for enabling surgical procedures, pain control, and patient comfort. Finding and creating safe and efficient anaesthetics is crucial to enhancing patient outcomes and developing the medical field. In this review, we provide a comprehensive overview of anesthetic drug discovery with a focus on the integration of computer-aided drug design (CADD) methodologies. Beginning with an exploration of anesthesia mechanisms and targets, we delve into the …
Published in International Journal of Antibiotics Read article
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InSilico Analysis and Homology Modeling of Tetrahydroprotoberberine Oxide involved in the Berberine Biosynthesis
Abstract: Objective: Berberine, a bioactive compound found in various plant species, exhibits diverse pharmacological properties with potential applications in pharmaceutical research. The biosynthesis of berberine involves several enzymatic steps, with (S)-tetrahydroprotoberberine oxidase playing a pivotal role. This study aimed to elucidate the structural and functional characteristics of (S)-tetrahydroprotoberberine oxidase to better understand its role in berberine biosynthesis and its potential biotechnological applications. Methods: Using bioinformatics tools and computational methods, the physicochemical …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 1, 2024 · pp. 7–26 Read article
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Computer Aided Drug Designing for Targeted Drug Delivery Systems
Abstract: The discovery and development of a contemporary sedate is widely acknowledged as an extremely difficult task that requires significant resources and effort. Therefore, computer-aided medication design techniques are widely utilized today to increase the productivity of the drug discovery and development process. Among structure-based and ligand-based drug design approaches, both recognized for their efficiency in drug discovery and development, various CADD (Computer-Aided Drug Design) techniques are evaluated based on specific …
Published in Trends in Drug Delivery · Vol. 11, Issue 2, 2024 · pp. 34–41 Read article
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An Extensive Analysis of Computer-Aided Drug Design for Novel Psychotropic and Neurological Substances
Abstract: A comprehensive review of the use of computer-aided drug design (CADD) in the creation of innovative neurologic and neuropsychiatric medications is given in this article. It discusses the challenges in traditional drug discovery approaches and highlights the role of computational methods in accelerating the identification and optimization of drug candidates targeting psychiatric and neurological disorders. The method of finding new drugs has been completely transformed by Computer-Aided Drug Design (CADD), …
Published in International Journal of Brain Sciences · Vol. 1, Issue 2, 2024 · pp. 19–27 Read article
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Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article
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Computational Biomodeling: Transforming Drug Design with Advanced Simulations
Abstract: Computational biomodeling has emerged as a transformative approach in the field of drug discovery, significantly enhancing the efficiency and precision of identifying and optimizing potential drug candidates. This article explores the various computational techniques utilized in drug design, including molecular docking, molecular dynamics (MD) simulations, free energy calculations, and virtual screening, and examines how these methods collectively contribute to the drug development process. The integration of these advanced simulations allows …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 3, 2024 · pp. 24–29 Read article
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Implementing Machine Learning in Data Classification
Abstract: Data classification forms an essential aspect of artificial intelligence (AI) and soft computing, helping a great deal in the transformation of raw data into knowledge that forms the basis of numerous applications, such as fraud detection, medical diagnostics, and natural language processing. This study discusses the challenges and the state of the art in data classification, as far as scalability, noise handling, and feature selection optimization are concerned. It gives …
Published in International Journal of Data Structure Studies · Vol. 3, Issue 2, 2025 · pp. 15–22 Read article
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Stilbenes: A Molecular Docking and ADMET Analysis Approach on an Emerging Resource for Scavenging Reactive Oxygen Species in the Field of Colon Malignancy
Abstract: Objective: Colon malignancy, also referred to as colon cancer, originates as precancerous polyps in the colon or rectum, which have the potential to thrive and progress into cancerous tumors over time. This study delves into various bioactive compounds (from natural sources like plants) to assess their potential efficacy in inhibiting colon malignancy as compared to conventional methods. Methods: The objective of this study was to employ computational methodologies to evaluate …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 14, Issue 3, 2024 · pp. 29–38 Read article
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Proposed System: Quantum Computing Processor Based on Linear Number Relation
Abstract: This paper details the design and implementation of a specialized quantum processor tailored for efficiently evaluating custom mathematical formulas. Optimized to perform a specific set of arithmetic and logical operations, this processor delivers a stable and high-performance computing platform. Unlike general-purpose quantum processors, which are designed for versatility across a wide range of algorithms, this dedicated processor aims to enhance performance and accuracy for a targeted set of tasks. The …
Published in Recent Trends in Parallel Computing · Vol. 11, Issue 3, 2024 · pp. 24–32 Read article
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Recent Developments in Structural Genomics: Uncovering Cellular Functions
Abstract: Structural genomics has become a groundbreaking field for understanding cellular functions by revealing the three-dimensional structures of proteins and other biomolecules. This field combines advanced methods like X-ray crystallography, nuclear magnetic resonance spectroscopy, cryo-electron microscopy, and computational modeling to explore the molecular structure and behavior of cellular components. Recent advances have significantly accelerated the pace of structure determination, bolstered by high-throughput methods and artificial intelligence tools like AlphaFold. These developments …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 30–35 Read article
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Computational Modeling of Polymer Semiconductors for Electronic Applications
Abstract: Polymer semiconductors have become important materials in modern electronic applications because they combine semiconducting behavior with mechanical flexibility, low-cost processing, and tunable molecular structure. Their growing use in organic field-effect transistors, organic photovoltaics, organic light-emitting diodes, and flexible sensing devices has increased the need for accurate computational approaches that can predict material properties and device performance before experimental fabrication. This paper reviews the major computational modeling techniques used for polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 132–146 Read article
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Perfect Numbers: Computational and Technical Exploration
Abstract: This paper explores perfect numbers, by getting into their historical significance and computational journey from ancient times to the present day. The discussion covers the mathematical definition of perfect numbers, their importance in number theory, and the major milestones in their discovery. Also, it elaborates how the coders are using their skillsets to identify new perfect numbers and the transforming outcome of getting more and more perfect numbers found. By …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 13, Issue 1, 2026 · pp. 9–16 Read article
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Anti-hyperglycemia Effects of Plant Secondary Metabolites Towards PKA/CREB Pathway Activation in Diabesity
Abstract: Objective: Diabesity, the amalgamation of diabetes and obesity, presents a significant global health challenge. This research carefully examines how plant secondary metabolites influence glucose regulation in diabetes using the PKA/CREB pathway, paying particular attention to diabesity—the combination of diabetes and obesity. Understanding the complex ways in which these metabolites affect metabolic health will help to identify new treatment approaches for managing diabetes and its associated problems. By conducting a thorough …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 2, Issue 1, 2024 · pp. 33–50 Read article
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Explainable Artificial Intelligence in Personalized Medicine: Emerging Clinical Perspectives
Abstract: The convergence of artificial intelligence (AI) and precision medicine has transformed contemporary healthcare by enabling data-driven clinical decision-making, individualized therapeutic interventions, and predictive diagnostics. However, despite remarkable advances in machine learning (ML) and deep learning (DL), the widespread adoption of AI in healthcare remains constrained by the “black-box” nature of many computational systems. Clinicians, regulatory agencies, and patients increasingly demand transparency, interpretability, and trustworthiness in AI-guided medical recommendations. Explainable Artificial …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 2, 2026 · pp. 13–29 Read article
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Exploring Potential Phytochemicals for Myasthenia Gravis Treatment: A Molecular Docking and ADME Analysis Approach
Abstract: Objective: Muscle feebleness and exhaustion derived from a disruption in neuromuscular transference are hallmarks of the crippling autoimmune disease myasthenia gravis (MG). The drawbacks of the current MG therapy options are frequently partial efficacy and adverse effects. To investigate the potential of phytochemicals in MG control, in this work we integrated molecular docking with ADME (absorption, distribution, metabolism, and excretion) analysis using a computer method. We identified molecules exhibiting favorable …
Published in International Journal of Molecular Biotechnological Research · Vol. 2, Issue 2, 2024 · pp. 1–13 Read article
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Optimization of Pesticide Requirement Calculations for IoT-Operated Hexacopter Delivery Systems
Abstract: The integration of Internet of Things (IoT) technology into precision agriculture has transformed pesticide application strategies, enabling resource-efficient and environmentally sustainable practices. This study presents a computational methodology for optimizing pesticide requirements in an IoT-operated hexacopter system, designed for dynamic, data-driven pesticide delivery. Leveraging a fusion of real-time telemetric data from onboard LiDAR, multispectral imaging sensors, and environmental monitoring modules, the system employs predictive analytics and edge computing to calculate …
Published in International Journal on Drones · Vol. 2, Issue 1, 2026 · pp. 08–14 Read article
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Modern Heritage Restoration Using GANs: Insights into Polymer–Composite Aging
Abstract: In the Era of modernization, accomplish a Net Zero goes beyond installing more solar panels and wind turbines but we also need to make sure their lifespan possibility. With the help of Polymer compound for protective coatings to find the applications in solar cells, turbine blades, batteries that degrade over the course of time causes by sun exposure, moisture, and pollution. However, due to these same types of degradation have …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 508–516 Read article
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Numerical Simulation of Crack Growth in Dynamic Loading Conditions
Abstract: Because it is crucial for forecasting structural failures in engineering applications, crack formation in materials under dynamic loading circumstances has become a crucial study topic. In this work, finite element methods (FEM) are used to numerically simulate fracture propagation in dynamic stress situations. The impact of loading rates, material characteristics, and crack geometries on crack growth patterns are assessed in a thorough parametric research. The work uses sophisticated computational methods …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 2, Issue 2, 2024 · pp. 30–34 Read article
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Framework-Based Optimization of Catalysis Efficiency through Reaction Pathway Engineering
Abstract: The rational design of heterogeneous catalysts through framework-based approaches has emerged as a transformative strategy for controlling reaction pathways and enhancing catalytic efficiency. This paper examines recent advances in the optimization of catalytic performance through engineered frameworks, including metal-organic frameworks (MOFs), zeolites, and related porous materials. By integrating computational methods with experimental validation, researchers have achieved unprecedented control overactive site architecture, reactant confinement, and elementary reaction steps. This work reviews …
Published in Emerging Trends in Chemical Engineering · Vol. 13, Issue 2, 2026 · pp. 88–99 Read article