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1198 articles for “computing”
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Computational Molecular Docking Studies to Design Novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)-1H- indol-5-ol Derivatives for Estrogen Receptor Alfa in AF-2 Domain
Abstract: The present manuscript describes the designing of novel 2, 3-Substituted-1-(4-(Piperidin-1-yl) butyl)- 1H-indol-5-ol derivatives as specific estrogen receptor alfa modulators and their screening by docking studies to determine the binding interaction for the best-fit conformations in the binding site of the ERα receptor. Based on the results of docking studies, the selected ligands reveal the all- important functional groups of the ligands that interact with active amino acid residues in the …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 12, Issue 3, 2025 · pp. 15–49 Read article
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A Computational Study to Elucidate the Phytochemicals as An Antagonist Against Pruritis in Psoriasis
Abstract: Objective: Psoriasis is a chronic, non-contagious, auto-immune skin disorder that causes inflammation, pain, and itching in the affected areas. The etiology of this condition is not entirely understood, and while there are treatments available to manage the symptoms, there is currently no cure. The Transient receptor potential cation channel, subfamily Vanillin, member 3 (TRPV3), present in keratinocytes, allegedly had a part in the development of psoriasis-related pain and itching. Specifically, …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 49–61 Read article
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Drugs for Alzheimer’s Disease from Salix Alba Discovered Computationally Utilizing Virtual Screening and Docking against 1b41 Protein
Abstract: Objective : The of this research is to evaluate the feasibility of using molecular docking techniques to identify novel acetylcholinesterase, a key enzyme implicated in the pathogenesis of Alzheimer’s disease, a neurodegenerative disorder with a gradual but steady progression to death, due to the gradual accumulation of beta-plaques and neurofibrillary tangles, as well as a decline in acetylcholine levels. Due to its function in converting acetylcholine into acyl and choline …
Published in International Journal of Genetic Modifications and Recombinations · Vol. 1, Issue 2, 2023 · pp. 07–19 Read article
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Valeton Phytoconstituents from Curcuma Phaeocaulis as Prion Protein Mutant V210I Inhibitors: A Computational Docking and Virtual Screening Study
Abstract: Objective: Creutzfeldt-Jakob disease (CJD), a neurological disorder that is sporadic, fatal, communicable, and worsens rapidly, is caused by abnormal folding of prion proteins. Identifying and assessing the potential of phytocompounds from the Curcuma phaeocaulis Valeton plant as a new therapeutic candidate aimed at the treatment of CJD is the objective of this research article. Methods: In this experiment, we assessed outcomes following an in-silico assessment to design a new oral …
Published in International Journal of Biochemistry and Biomolecule Research · Vol. 1, Issue 2, 2023 · pp. 1–16 Read article
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Exploring the Thyroid Gland Physiology in Relation to Thyroid Hormones: An Overview through the Lens of 3D Computational Biology
Abstract: The endocrine system plays a pivotal role in orchestrating and sustaining diverse physiological functions by manufacturing and releasing hormones, which function as vital chemical messengers within the body. Among the prominent endocrine glands, the thyroid gland holds a central position. Situated in the lower part of the neck, this gland adopts a butterfly-shaped structure. Its significance lies in the synthesis of three key hormones: thyroxine (T4), tri-iodothyronine (T3), and calcitonin.The …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 11, Issue 1, 2024 · pp. 46–54 Read article
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A Conceptual Exploration of Carbohydrate, Protein, and Fat Metabolism within the Realm of 3D Computational Biology
Abstract: Maintaining energy balance within the body is just as crucial as other vital physiological processes. Energy is generated through a myriad of chemical reactions occurring within the cells of all living organisms. This unique characteristic enables living organisms to extract energy from their surroundings and utilize it for essential activities such as growth, development, and reproduction. While it is commonly assumed that individuals with lower body weight have higher metabolic …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 11, Issue 1, 2024 · pp. 55–62 Read article
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Computational investigation of the influence of process parameters of 3D printed PLA material
Abstract: This study uses numerical simulation to examine the relationship between critical process parameters say, feed rate, layer height, and raster angle, on residual stresses and distortions and on the achievable density of FFF prints to identify the optimal input parameter combinations for ISO 527-2 type 1A. Methods of additive manufacturing that are utilised widely used to manufacture thermoplastic parts is fused filament fabrication. High residual stresses are one of the …
Published in Journal of Polymer & Composites · Vol. 12, Issue 1, 2024 · pp. 259–269 Read article
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Recombinant Human EGF in Wound Healing: 3D Computational Insights
Abstract: A Growth Factor represents a naturally-occurring compound with the remarkable ability to incite cellular growth, proliferation, and differentiation. Typically manifesting as either a protein or a steroid hormone, these factors wield significant influence over an array of cellular activities. Their pivotal role lies in the regulation of diverse cellular processes, often serving as catalysts for cell specialization and maturation, a characteristic that distinguishes them from one another. For instance, bone …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 11, Issue 2, 2024 · pp. 6–10 Read article
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Integration of Computer Vision with Raspberry Pi in Surveillance Robotics
Abstract: An enhanced method for tracking the weather at a specific location and having the data viewable from anywhere in the world is the system described in this paper. The technology behind this is the Internet of Things (IoT), a state-of-the-art and efficient way to connect devices to the internet and connect everything in the world in a network.. Things like electronic devices, sensors, and vehicle electronics could be found here.Temperature, …
Published in Journal of Microcontroller Engineering and Applications · Vol. 11, Issue 2, 2024 · pp. 22–27 Read article
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DOCSNAP: Integrating NLP and Computer Vision for Comprehensive Document Summarization
Abstract: Because of the exponential growth of digital content, sophisticated tools are required for effective data interpretation and administration.. This project harnesses the capabilities of the Gemini AI model developed by Google DeepMind to address the challenges of PDF summarization and image captioning. Gemini AI integrates cutting-edge algorithms, including transformer architectures, to process textual and visual data seamlessly. The project's system architecture involves modules for text and image extraction, with a …
Published in Journal of Instrumentation Technology & Innovations · Vol. 14, Issue 2, 2024 Read article
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Asymptotic Notations: A Review
Abstract: Asymptotic notations play a fundamental role in assessing the efficiency and performance of algorithms, particularly as input sizes grow larger. This paper delves into three key asymptotic notations: Big O, Theta, and Omega, which are essential for understanding the upper, average, and lower bounds of an algorithm’s runtime. Big O notation specifically helps in determining the worst-case scenario of an algorithm’s growth rate, providing an upper bound on time or …
Published in Journal of Computer Technology & Applications · Vol. 15, Issue 3, 2024 · pp. 17–33 Read article
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Movie Popularity Content-based Database System Using Cloud Computing Based on Deep Learning and AI
Abstract: The digital age has brought rapid growth in both the production and consumption of movies within the entertainment industry. This surge in movie availability has created a need for effective methods to assist users in discovering films that align with their preferences. This paper introduces the concept of a “Movie Popularity Content-Based Database System,” designed to enhance the movie recommendation process by combining content-based filtering with popularity trends. In summary, …
Published in Journal of Advanced Database Management & Systems · Vol. 12, Issue 1, 2025 · pp. 7–12 Read article
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Computational Investigation of Phytochemicals Targeting AKT1 for Major Depressive Disorder: A Molecular Docking and ADMET Study
Abstract: Major depressive disorder (MDD) is a prevalent neuropsychiatric condition affecting approximately 280 million individuals worldwide, with women exhibiting a 50% higher likelihood of diagnosis than men. Despite significant advancements in treatment, MDD remains a chronic and relapsing disorder, necessitating the exploration of novel therapeutic interventions. This study focuses on the AKT1 gene, a key player in neuropsychiatric disorders, and investigates its interactions with natural phytochemicals as potential alternatives to conventional …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 2, 2025 Read article
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Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative
Abstract: (E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–17 Read article
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Investigating The Alkalizing Potential of Chandanasava For Restoring Acid-Base Homeostasis in Renal Tubular Acidosis: A Computational and In Silico Pharmacological Study
Abstract: Chandanasava, a traditional Ayurvedic formulation, is recognized for its potential alkalizing properties, which may help restore acid-base homeostasis in conditions such as renal tubular acidosis (RTA). This study aims to investigate the active components of Chandanasava and their interactions with key renal target proteins, Pendrin and Carbonic Anhydrase II, which are essential for maintaining acid-base balance. An in silico approach was utilized to explore the pharmacological potential of the phytochemicals …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 28–52 Read article
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Experimental Analysis and Design Proposal of Banana Fiber Reinforced Polymer Composites and Computer Analysis
Abstract: This study presents a comprehensive experimental investigation and design model development using banana fiber reinforced polymer (BFRP) composites. The primary aim is to evaluate the mechanical and physical performance of the composite, with particular emphasis on tensile strength, flexural strength, and water absorption characteristics. These properties are critical for applications in industries such as transportation and construction, where durability, lightweight materials, and cost-effectiveness are essential. Banana fibers, being natural, renewable, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 901–907 Read article
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Evaluation of Critical MMAW Welding Defects Using Computer Simulation in Industrial Manufacturing Systems
Abstract: Manufacturing is one of the key sectors of any countries GDP and welding is one of the prime manufacturing processes of the manufacturing sector. Welding has several notable advantages over mechanical joining techniques, including higher structural integrity, design flexibility, and cost and weight lowers. Welded products/structures are subjected to serious issues of residual stresses and distortions. The performance and sturdiness of the welded structures are severely impacted by weld remaining …
Published in International Journal of Industrial and Product Design Engineering · Vol. 3, Issue 2, 2025 · pp. 18–26 Read article
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Design and Computational Analysis of Hybrid Carbon Fiber-Enhanced Metal Matrix Composite Spur Gears
Abstract: The automobile industry has to find the alternative solution for steel grade gears to overcome the weight to high strength ratio and thermal consideration with high damping properties. This study describes the design, FEM analysis, and performance evaluation of three new hybrid composite spur gears: a monolithic carbon fiber/epoxy (80/20 weight percent) composite (A), and two hybrids with steel (B) and aluminum (C) matrices (64% CF, 21% Epoxy, 15% metal). …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 158–172 Read article
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Computational Exploration of Aristolochia indica Bioactive Compounds Against Snake Venom Proteins Using Docking and Dynamics Simulations
Abstract: Snakebite envenoming is a neglected health threat impacting millions of people each year especially in tropical and subtropical countries. Ethnomedicinal plants are sources of various bioactive compounds and have been utilised by several tribes across the world for centuries. Aristolochia indica is a perennial herb mentioned in the Indian Ayurveda with a long history of use against snake venom, scorpion venom, fevers, rheumatic arthritis, liver ailments, leishmaniasis etc. The major …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 1, 2026 Read article
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Investigation of Exergy and Energy with Fibre Reinforced Plastic Composite (FRP) Tube Based Solar Still using PCM material via Theoretical and Computational Approach
Abstract: A FRP (Fibre Reinforced Polymer) material-based solar still is an advanced design approach in solar desalination systems, where the traditional construction materials (like metal or concrete) are replaced or enhanced with FRP composites. A FRP composite material tubular solar still is a lightweight desalination equipment with a substantial condensing area in comparison to other types of solar stills. Nonetheless, their effectiveness is often limited by fluctuating climatic circumstances. This study …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 66–78 Read article