Search
406 articles for “computational tools”
-
Effectiveness of Temporins for the Treatment of HPV Infections
Abstract: Objectives: Human papillomavirus (HPV), especially high-risk variants like type-16 have been linked to the formation of malignant tumors. HPV-16 has been implicated in most cases of cervical cancer in women. This study aims to assess the effectiveness of three types of temporin molecules, i.e., antiviral peptides secreted by certain frog species, for the inhibition of the viral L1 protein. Methods: In the present study, various computational tools were used to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 1, 2024 · pp. 41–53 Read article
-
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
-
Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
-
Glitches in the Implementation of Bioinformatics in Medical Settings: A Comprehensive Review
Abstract: Bioinformatics is a dynamic field at the intersection of biology, computer science, and information technology, offering new possibilities in medicine by enabling a deeper understanding of genomics, molecular biology, and personalized treatment approaches. Its integration into healthcare could greatly enhance diagnostics, enable tailored treatments for individuals, and facilitate the analysis of large biological datasets. However, despite its potential, several barriers impede its successful implementation in clinical settings. These include technical …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 11, Issue 3, 2024 · pp. 1–6 Read article
-
Computational Approaches to Understanding Cellular Signaling Pathways
Abstract: Cellular signaling pathways are fundamental in regulating vital processes, such as cell growth, differentiation, and apoptosis. The intricate and interconnected nature of these signaling networks requires sophisticated methods for their analysis. Computational approaches, including mathematical modeling, network analysis, and machine learning, have revolutionized the way researchers analyze and simulate cellular signaling. This article provides a comprehensive overview of computational strategies employed to model signaling pathways, with a focus on integrating …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 8–13 Read article
-
Targeting PTPN22 in Arthritis: Molecular Docking and Pharmacokinetic Evaluation of Artemisia vestita Compounds
Abstract: Rheumatoid arthritis (RA) is a long-term autoimmune condition characterized by inflammation of the synovial membrane, commonly resulting in swelling, pain, stiffness, and overall fatigue. Protein tyrosine phosphatase non-receptor type 22 (PTPN22) has been identified as a risk factor linked to various autoimmune diseases, including RA. In the PTPN22 gene, two missense Single nucleotide polymorphisms (SNPs) are associated with autoimmune conditions. The R620W (C1858T, rs247660) variant in exon 14 has been …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 20–31 Read article
-
Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
-
Fuzzy Probability Distributions and Their Applications in Uncertain Data Analysis
Abstract: This study explores the use of fuzzy probability distributions in data analysis under uncertain conditions, with a specific focus on their implementation in evaluating call center customer satisfaction. Traditional probability models rely on precise parameters, often failing to account for the inherent variability and subjectivity present in real-world data. In contrast, fuzzy probability distributions, which integrate fuzzy logic principles, offer a more adaptable and realistic framework for addressing such complexities. …
Published in Research & Reviews : Journal of Statistics · Vol. 13, Issue 3, 2024 · pp. 1–8 Read article
-
Study of Proximity Points and Fixed Points
Abstract: This paper explores the concepts of proximity points and fixed points, which are fundamental in mathematical analysis and nonlinear functional analysis. Fixed-point theorems play a crucial role in optimization, game theory, differential equations, and dynamic systems. Proximity points, an extension of fixed points, provide a more generalized approach, allowing near-coincidence rather than exact identity. The study discusses classical fixed-point theorems, such as Banach’s contraction principle, Brouwer’s fixed-point theorem, and Schauder’s …
Published in Recent Trends in Mathematics · Vol. 1, Issue 2, 2024 · pp. 28–31 Read article
-
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
-
Microstructural Design and Functional Properties of Polycrystalline Materials
Abstract: Polycrystalline materials, composed of an aggregate of crystallites or grains, are foundational to modern engineering applications due to their versatile functional properties. The microstructural design—encompassing grain size, shape, orientation, phase distribution, and grain boundary characteristics—plays a pivotal role in determining mechanical, thermal, electrical, and magnetic behavior. This abstract explores the intricate relationship between microstructure and functionality, emphasizing how tailored processing techniques such as thermomechanical treatments, sintering, and additive manufacturing can …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 2, 2025 · pp. 16–20 Read article
-
From Noise to Insight: An Academic Study of Electrical Signal Processing
Abstract: Electrical signal processing is very important for turning raw, often noisy data into useful and actionable information. This article gives a simple and easy-to-understand summary of the basic ideas and methods used in electrical signal processing, such as filtering, signal representation, modulation, and spectrum analysis. The focus is on how to effectively eliminate noise and interference to improve the quality and dependability of signals. The conversation connects ideas from theory …
Published in Current Trends in Signal Processing · Vol. 16, Issue 1, 2026 · pp. 10–21 Read article
-
Fracture Analysis of Laminated composite plates using Extended Finite Element Method: A Review
Abstract: Laminated composite plates are used in aerospace, automotive, and marine industries. They feature great durability against fatigue, a high strength-to-weight ratio, and mechanical attributes that may be altered. However, they are prone to fracture and delamination under complex loading, requiring accurate fracture analysis for structural integrity. Traditional finite element methods (FEM) need extensive mesh refinement for modelling crack propagation which increases the computational costs. The Extended Finite Element Method (XFEM) …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 4, Issue 1, 2026 · pp. 16–25 Read article
-
Pharmacodynamics and Drug–Receptor Interactions: Integrating PK/PD Modeling with Modern Drug Development
Abstract: Understanding drug action requires an integrated perspective of pharmacodynamics and pharmacokinetics, which together determine therapeutic efficacy and safety. This review provides a comprehensive overview of the mechanisms underlying drug action, with particular emphasis on drug–receptor interactions and their role in modulating physiological responses. Drugs exert their effects primarily through interactions with specific biological targets, including receptors, enzymes, ion channels, and transporters, resulting in a spectrum of desired and adverse outcomes. …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 · pp. 33–47 Read article
-
Multi-Scale Analysis of Polymer Based Energy Storage Systems for High Performance Battery Applications
Abstract: The energy storage systems based on polymers are becoming promising materials for the next generation of high performance batteries because of their excellent mechanical flexibility, improved safety, and favorable electrochemical properties. Even with computational tools in Python, polymer-based energy storage systems remain plagued by poor ionic conductivity, complicated electrochemical reactions and potential thermal runaway. Therefore, a multi-scale model is proposed to improve battery performance, thermal stability, reliability, and large-scale deployment …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 1035–1048 Read article
-
AI-Driven Pharmacogenomics and Precision Medicine: Future of Personalized Therapy
Abstract: Pharmacogenomics and artificial intelligence (AI) are emerging as important drivers of precision medicine, enabling healthcare systems to adopt individualized therapeutic approaches. Pharmacogenomics examines how genetic variations influence drug response, efficacy, metabolism, and toxicity, while AI provides advanced computational tools for analyzing complex genomic and clinical data. This review highlights the integration of AI-driven pharmacogenomics in personalized therapy and its potential to improve treatment outcomes. Machine learning, deep learning, natural language …
Published in Emerging Trends in Personalized Medicines · Vol. 3, Issue 2, 2026 · pp. 1–12 Read article
-
Optimization of a new Bebq2/BCP-based OLED structure for optimum performance
Abstract: Opto-electronic devices exhibit highly nonlinear current–voltage (I–V) characteristics that significantly affect charge injection, transport, and recombination, evaluating their performance remains a difficult challenge. Device optimization is a key research goal in organic light-emitting diodes (OLEDs), as the thickness and arrangement of individual functional layers greatly influence electrical and optical responses. For a suggested Bebq2/BCP-based OLED structure, this work methodically examines the movement of charge carriers, their transport behavior, and the …
Published in Journal of Semiconductor Devices and Circuits · Vol. 13, Issue 2, 2026 Read article
-
Optimizing Milling Parameters in Face Milling Operation
Abstract: In statistics, response surface methodology (RSM) establish a relationship between several self or system explanatory variables and one or more response variables. Since many variables are involved to control the process, the requirement of some mathematical models to represent the process is found to be necessary. In order to extract the result by this statistical analysis, the experimental results will have to be processed using the analysis of variance (ANOVA). …
Published in Journal of Experimental & Applied Mechanics · Vol. 9, Issue 3, 2018 · pp. 60–76 Read article
-
An Improvement of Voltage Stability by Generator Bus Rescheduling
Abstract: This paper focuses on assessment and improvement of voltage stability by Georgeoschrin’s theorem using new evolutionary TLBO and PSO algorithm. In today’s environment, voltage stability maintained without sacrificing the power system parameters is really a herculean task. Generally, eigen value of reduced Jacobian matrix or Jacobian matrix of N-R base load flow analysis is well thought-out as voltage stability indices for weak bus identification. Here, the diagonal elements reduced Jacobian …
Published in Trends in Electrical Engineering · Vol. 7, Issue 2, 2017 · pp. 1–10 Read article
-
Voltage Stability Study based on New Evolutionary Algorithm
Abstract: This paper describes a PSO optimization algorithm for voltage stability study and its enhancement based on proximity and mechanism analysis. This theorem is implemented based on Gershgorin’s Circle Theorem. The control variables responsible for enhancing the voltage stability limit are generator bus voltages at PV buses, the taps of On-Load –Tap-Changing Transformer. (OLTC), change in reactive power etc. The objective function of proposed algorithm is to maximize the minimal diagonal …
Published in Trends in Electrical Engineering · Vol. 7, Issue 2, 2017 · pp. 21–31 Read article