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117 articles for “In silico study”
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Characterization of Fracture Toughness of As-Cast Si-Mo- Cr Ductile Cast Iron
Abstract: In the present study, a Si-Mo-Cr ductile cast iron is developed by taking three different combinations, viz. Heat-1, Heat-2 and Heat-3 of the selective amount of silicon, molybdenum, copper and chromium. For fracture toughness characterization, the specimens are prepared from the samples in "as-cast" conditions. The value of static fracture toughness obtained from the experiments for the specimen of Heat-2 with a fatigue pre-crack is 54.49 MPa√ , whereas, for …
Published in Journal of Polymer & Composites Read article
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In-silico Approach of Few Selected Phytoconstituents on Newer Cancer Targets
Abstract: Background: Cancer’s high death rates are mainly due to, drug resistance and unmet medical demands. It necessitates novel anticancer medications. AI tools aid in efficient and faster drug discovery by analyzing data, modeling processes and optimizing pipeline stages. Aim: The aim of this present study is to evaluate phytoconstituents against novel and newer cancer targets. Methodology: The ligands Daidzein, Resveratrol and Genistein were targeted against the Glutamate dehydrogenase (PDB ID …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 15, Issue 3, 2024 · pp. 12–17 Read article
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Performance Comparison of Noise-Tolerant, High- Performance CMOS Domino Logic Configurations
Abstract: In high-performance VLSI chip design, domino logic configuration is often preferred over static logic due to its faster operation and smaller area footprint, especially in deep submicron (DSM) technology. However, DSM noise has become a significant challenge in domino-based circuits, leading to compromises in the reliability and signal integrity of integrated circuits (ICs). The switching threshold of domino logic, defined as the input voltage level at which the gate output …
Published in Journal of Semiconductor Devices and Circuits · Vol. 12, Issue 2, 2025 · pp. 35–50 Read article
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Experimental Investigations on Aluminium Composites Materials Using Stir Casting Process
Abstract: In physical operations, accoutrements in motorcars and aeronautical machine factors, aluminium and its alloys are extensively used. In this study an effort is made to ameliorate the properties of aluminium essence matrix compound (A356) for manufacturing of machine rudiments taking High Tensile strength, Hardness, Wear resistance and low coefficient of friction, aluminium alloy (A356) reinforced with aluminium oxide, graphite and silicon carbide. In the current work, A356 as base metal …
Published in Journal of Polymer & Composites · Vol. 11, Issue 8, 2023 · pp. 302–323 Read article
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Nanowire Photodetectors and Applications: A Review Study
Abstract: The utilization of nanowires and nanowire structures as photodetectors is an arising research subject. Novel gadget structures incorporated in single nanowire gadgets are additionally being effectively contemplated and created. Here, general NW-PD ideas are investigated, along with a point-by-point depiction of the actual phenomenon happening in nanowire photoconductors & phototransistors. Low dimensional frameworks like nanotubes and nanowires have intriguing, and technologically valuable, optical and electrical properties. Studies on these frameworks …
Published in Journal of Semiconductor Devices and Circuits · Vol. 10, Issue 2, 2024 · pp. 15–19 Read article
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In Silico Prediction of Multitarget Mechanism of Quinoline and Its Analogs on Phosphoinositide-3-Kinase Pathway Proteins
Abstract: Objective: Phosphoinositide 3-kinases (PI3Ks), the target of rapamycin (PI3K/Akt/mTOR, PAM), are a family of enzymes that play a role in the growth, proliferation, differentiation, motility, survival, and intracellular trafficking of cells, all of which are essential for healthy cellular function and are also connected to cancer. In this study, quinoline and its derivatives were employed to analyze its inhibition activity on the phosphoinositide-3-kinase pathway. Methods: In this work, eight phytocompounds …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 57–76 Read article
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Exploring Azadirachta indica’s Potential to Combat Visceral Leishmaniasis Through GP63 Inhibition
Abstract: Objectives: Millions of people worldwide suffer from the parasite disease visceral leishmaniasis. Determine the naturally occurring active ingredients in Azadirachta indica, which are employed as a disease-prevention agent and have several uses in medicine. To choose the best ligand to use as a medication, absorption, distribution, metabolism, and excretion (ADME) studies and molecular docking are employed. Methods: To obtain the GP63 protein, the Protein Data Bank (PDB) database was accessed. …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 2, Issue 2, 2024 · pp. 1–12 Read article
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Emerging Digital Trends in Virology Software: Optimizing Viral Discovery, Surveillance,and Patient Management.
Abstract: Virology and antiviral therapeutics are being reshaped by rapid advances in computational tools, automation platforms, and virus-focused digital health applications. Software systems now span the entire virology value chain, from in silico viral target identification and antigen design, to AI-supported clinical trial management for vaccines and antivirals, to post-marketing pharmacovigilance and patient-facing mobile tools. This review examines current and emerging software trends relevant to virus studies, emphasizing applications in viral …
Published in International Journal of Virus Studies · Vol. 3, Issue 1, 2026 · pp. 29–38 Read article
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Optimizing Parameters for Dry Sliding Wear Control in Stir-Cast AA7050/SiC Composites
Abstract: Using a pin-on-disc tribometer, this study examined the dry sliding wear behavior of AA7050/SiC composites. The production of this metal matrix composite was achieved through the stir-casting process, which involved an initial step of melting the AA7050 alloy, followed by the careful introduction of silicon carbide (SiC) particles, stirring to achieve uniform dispersion, and finally, casting the molten mixture. Wear rate (WR) was determined by three operational parameters: SiC reinforcement …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1624–1635 Read article
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In Silico Identification of Therapeutic Agents for Dengue Virus by Molecular Docking
Abstract: The dengue virus causes serious health issues and a loss of quality of life. Dengue poses a yearly threat to half of the world’s population. The drugs that are based on allopathy are expensive and also exhibit toxic effects on tissues and biological activities. It is also generally accepted that most pharmacologically active drugs, including those derived from medicinal plants, are isolated from natural sources. The present study is directed …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 13, Issue 2, 2026 · pp. 01–14 Read article
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Life Cycle Assessment of Solar Panels: Environmental Impacts from Production to Disposal
Abstract: LCA is a way to evaluate the full environmental impact of something—like a product, material, activity, or building—from start to finish. As solar energy adoption accelerates globally, understanding the full environmental implications of PV technology becomes crucial for informed decision-making and sustainable development. The study employs a cradle-to-grave approach, analyzing the environmental footprint of solar panels across multiple impact categories. These include global warming potential, energy payback time, water consumption, …
Published in International Journal of Environmental Planning and Development Architecture · Vol. 3, Issue 2, 2025 · pp. 33–38 Read article
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AI-Assisted Defect Detection in Polymer Composite Insulators Using an Optimised Ensemble Deep Learning Framework for Structural Health Monitoring
Abstract: Polymer composite insulators, particularly those made from silicone rubber and epoxy resins, are increasingly adopted in high-voltage transmission systems due to their superior electrical insulation, lightweight design, hydrophobicity, and environmental durability. Despite their advantages, these materials are susceptible to surface degradation, mechanical cracking, and flashover under prolonged exposure to environmental pollutants, thermal stress, and electrical aging. Accurate, real-time condition assessment of these composite insulators is critical for ensuring operational safety, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 253–261 Read article
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Exploration of Mechanical Characteristics and Microstructural Analysis of Copper Matrix Composites with Hybrid Reinforcements via Muffle Furnace Sintering
Abstract: Metal Matrix Composites (MMCs) have drawn a lot of interest in the area of innovative materials because of how widely they may be used. Due to their extraordinary qualities, such as high thermal conductivity, higher temperature endurance, improved corrosion resistance, and great weldability, copper matrix composites stand out among them. These qualities make them desirable and promising materials for uses including heat exchangers, automotive parts, and electrical components. In this …
Published in Journal of Polymer & Composites · Vol. 11, Issue 12, 2023 · pp. 119–126 Read article
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Investigating The Influence of Sic Reinforcement on The Mechanical and Tribological Properties of PA12 Polymer Composites in SLS
Abstract: The study investigates the mechanical and tribological performance of neat PA12 polymer and SiC-reinforced PA12 polymer composites made via Selective Laser Sintering (SLS). To evaluate just how reinforcement has influence upon overall performance, we incorporated into the PA12 polymer matrix a constant amount of 5 wt.% of Silicon Carbide (SiC). Mechanical testing focused on both tensile and fatigue behavior and testers conducted it with a Servo-Hydraulic Multipurpose High-Capacity Fatigue Test …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 541–554 Read article
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In Silico Drug Design for Mycobacterium tuberculosis and Development of Host–Pathogen Interaction Network and Molecular Docking Procedures
Abstract: Objective: A leading cause of illness is the contagious disease tuberculosis (TB), this infection with Mycobacterium tuberculosis complex (MTBC) particularly M. tuberculosis and M. africanum, is what causes tuberculosis. Diverse receptor proteins (mycobacterial proteins) with various 3D structures and functions were evaluated to access the multi-domain antimycobacterial action of ligands. The specific receptor proteins PDB ID: 3PTY, PDB ID: 4OW8, PDB ID: 5KWA, and PDB ID: 3ZXR, were opted for …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 1–19 Read article
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Functionally Graded Natural Fibre and SiC-reinforced Polymer Composite: Mechanical Properties
Abstract: Multifunctional materials, also called functionally graded materials (FGMs), are based on natural fibres or fillers and vary in composition and/or microstructure to control functional, structural, or thermal, properties. Functionally graded materials (FGMs) have been created for use in spacecraft, aircraft, and other engineering applications because they can withstand extremely high temperatures. Particle-reinforced FGMs, which make up the majority of FGMs, are made differently depending on their position. The mechanical and …
Published in Journal of Polymer & Composites · Vol. 11, Issue 4, 2023 · pp. 1–14 Read article
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In Silico Molecular Docking of Indigofera tinctoria Phytocompounds to Target EGFR/ERK and FGFR/FGF Pathway Proteins Involved in Prostate Cancer
Abstract: Objective: Prostate cancer being the second major cause of cancer-related deaths in males, affects the small walnut-shaped gland below the bladder called the prostate gland. The epidermal growth factor protein (EGFR), cascade protein (ERK), and fibroblast growth factor proteins (FGFR and FGF) are involved in the different signaling pathways that lead to the formation of different products, that are responsible for the progression of cancer and thus can be considered …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 34–56 Read article
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Influence of Crystallization Time by Hydrothermal Synthesis of Ag NPs-Zeolite Composite
Abstract: Inorganic molecules undergo a chemical reaction that results in the production of a brand-new building material known as geopolymer concrete. Otherwise known as an inorganic aluminohydroxide polymer, geopolymer is made mostly from by-products like fly ash and geologically derived silicon (Si) and aluminium (Al). It is a superior building material for the future because of its great mechanical qualities, significant chemical resistance (attack by magnesium or sulphate), low shrinkage and …
Published in Journal of Polymer & Composites · Vol. 11, Issue 1, 2023 · pp. 46–51 Read article
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1D-Nano-Scale Porous Silicon (1D-Psi) as Optical Sensor Device
Abstract: This research article embarks on a thorough experimental inquiry into the detection of kerosene adulteration in petrol, employing a sophisticated one-dimensional microcavity of nano-scale porous silicon (1D-PSMC) sensing device. The significance of this investigation stems from the detrimental consequences of petrol adulteration, which not only aggravates environmental pollution but also jeopardizes the functionality and durability of machinery components, thereby posing significant economic and environmental challenges. The 1D-PSMC, designed to function …
Published in Journal of Polymer & Composites · Vol. 12, Issue 5, 2024 · pp. 69–75 Read article
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Optical Along with Magnetic Properties of Doped Nano-Structured Mos2 Nano-Films by Spin Coating
Abstract: The supernatant containing 2D nano-flakes of Molybdenum di-sulphide (MoS2) are synthesized and collected using wet chemical synthesis process. The dispersed MoS2 nano-flakes solution is having strong absorbance values at 627 nm and 690 nm conforming to an energy band gap BG of 1.79 eV and 1.98 eV. Thereafter, MoS2 thin films with and without magnetic doping (cobalt) are deposited on n type silicon by spin coating technique. These samples are …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 297–302 Read article