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Integrated computational analysis of Garcinia kola phytochemicals as acetylcholinesterase inhibitors: molecular docking, molecular dynamics simulations, and DFT studies
Article
Article
Onyekachi Onyekwere et al · Elsevier · 2026 · ISSN 3050-7871
Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cholinergic dysfunction, making acetylcholinesterase (AChE) a key therapeutic target. Although Garcinia kola has been widely reported ...
LCC TENDOkNvbXB1dGVyIGFwcGxpY2F0aW9ucyB0byBtZWRpY2luZS4gTWVkaWNhbCBpbmZvcm1hdGljcw~~Idioma English
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Open Access
Subgrid FD: a model balancing computational efficiency and accuracy for salinity simulation in tidal river systems
Article
Article
Zhi Wang et al · Taylor & Francis Group · 2026 · ISSN 1994-2060
Salinity distribution is a critical determinant in the management of water resources and the protection of ecological integrity in coastal regions, drawing particular concerns in the context of increasing saltwater intru...
LCC LCC:Engineering (General). Civil engineering (General)Idioma English
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Open Access
Sustainable Microextraction for Trace Determination of Aflatoxin M1 in Domestic Waters by High-Performance Liquid Chromatography with Fluorescence Detection (HPLC-FLD): A Computationally Optimized Design
Article
Article
Saini, Shivender Singh et al · Analytical Letters · 2026 · ISSN 00032719
"A rapid and sensitive analytical method for the trace determination of aflatoxin M1 in domestic waters was developed using chitosan as a sorbent and HPLC with fluorescence detection (HPLC-FLD). Computational simulations...
Idioma English
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Material complementario
Advanced Concepts for the Kinetic Modeling of Fatty Acid Methyl Esters Hydrogenation
Article
Article
Cabrera, Maria Ines et al · De gruyter · 2008 · ISSN 1542-6580
Kinetic studies of the catalytic hydrogenation of vegetable oils and fatty acid methyl esters in liquid-phase are commonly performed in the framework of the Langmuir-Hinshelwood-Hougen-Watson (LHHW) formalism using the c...
Idioma English
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Material complementario
Consensus on the directions for development in quantitative microbial risk assessment
Article
Article
DONG Qingli et al · The Editorial Office of Chinese Journal of Food Hygiene · 2025 · ISSN 1004-8456
In recent years, quantitative microbial risk assessment (QMRA) for food safety has developed rapidly both domestically and internationally. QMRA integrates multidisciplinary theoretical knowledge and technical meth...
LCC TENDOkZvb2QgcHJvY2Vzc2luZyBhbmQgbWFudWZhY3R1cmU~; LCC:Nutrition. Foods and food supplyIdioma zho
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Open Access
Investigation of water displacement process in pipelines: An improved mechanistic model and its numerical implementation
Article
Article
Jaqueline Diniz da Silva et al · KeAi Communications Co. Ltd · 2026 · ISSN 2667-1433
Multiphase flows are very common in industrial operations. In offshore oil and gas production, transient processes in long pipelines can lead to water accumulation, which must be removed using gas–oil mixtures. The slu...
LCC LCC:Engineering (General). Civil engineering (General)Idioma English
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Open Access
Project and Analysis of Quasi-Periodic PBG for Microstrip Antenna
Article
Article
Ádller O. Guimarães et al · Sociedade Brasileira de Microondas e Optoeletrônica e Sociedade Brasileira de Eletromagnetismo · ISSN 2179-1074
Abstract In this work the influence of quasi-periodic distributions of air holes with 6, 12 and 6-fold modified symmetries, applied to the substrate of a rectangular microstrip patch antenna are analyzed. To validate the...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma English
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Open Access
Exploring T Cell Crowd Dynamics via Active Matter Modelling
Thesis
Thesis
Wiebke, Lucas Erwin · Instituto Tecnológico de Buenos Aires (ITBA) · 2026
"Los linfocitos T son uno de los muchos tipos celulares involucrados en la respuesta inmune adaptativa. Estas células altamente móviles patrullan en busca de antígenos, alcanzan sitios de infección e infiltran tumore...
Idioma Spanish
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Material complementario
Relajación y redistribución intramolecular de energía en nanoanillos de carbono
Thesis
Thesis
Rodríguez Hernández, Beatriz · Universidad Nacional de Quilmes · 2022
La presente tesis comprende la simulación computacional de la dinámica fotoinducida en nanoanillos de carbono y modificaciones de ellos. La simulación de los procesos de fotoexcitación, relajación y redistribución ...
Idioma Spanish
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Material complementario
Computational Modeling of Biomass Fast Pyrolysis in Fluidized Beds with Eulerian Multifluid Approach
Article
Article
Venier, César Martín et al · MDPI · 2024 · ISSN 2311-5521
This study investigated the fast pyrolysis of biomass in fluidized-bed reactors using computational fluid dynamics (CFD) with an Eulerian multifluid approach. A detailed analysis was conducted on the influence of various...
Idioma English
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Open Access
Computational screening of AI-derived cyclotides as putative VEGFR2 binders for wound-site angiogenesis
Article
Article
Özlem Karaca Ocak et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Chronic wounds represent a longstanding clinical problem due to impaired angiogenesis due to insufficient activation of vascular endothelial growth factor receptor 2 (VEGFR2). In this investigation, we used comp...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma English
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Material complementario
Simulation and Experimental Research on Liquid Spreading in a Wire-Sawn Kerf
Article
Article
Lin Lin et al · KeAi Communications Co., Ltd · 2023 · ISSN 2192-8258
Abstract The significance of liquids in abrasive wire sawing has been demonstrated in several studies. However, the performance of its spreading behavior is limited by the current development trend, where the wafer has a...
LCC LCC:Ocean engineering; TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Open Access
Transfer learning enhanced deep neural network surrogate model for rapid multiphysics simulation of alkaline water electrolyzers
Article
Article
Jingwen Yan et al · Nature Portfolio · 2026 · ISSN 2045-2322
Abstract Alkaline water electrolysis represents a promising pathway for green hydrogen production, yet comprehensive multi-physics simulation remains computationally prohibitive for practical design optimization. This st...
LCC LCC:Medicine; TENDOlNjaWVuY2U~Idioma English
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Material complementario
A Data-Driven Framework for Vaccine Demand Forecasting and Inventory Simulation in a Hospital Travel Clinic
Article
Article
Sanyapong Petchrompo et al · IEEE · 2026 · ISSN 2169-3536
Forecasting vaccine demand and determining inventory policies are critical challenges in healthcare supply chains, where uncertainty poses significant operational risks. This study proposes a two-step data-driven framewo...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma English
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Material complementario
A Local Region Molecular Dynamics Simulation Method for Nanoscale Sliding Contacts
Article
Article
Rui-Ting Tong et al · KeAi Communications Co., Ltd · 2018 · ISSN 1000-9345
Abstract Computational efficiency and accuracy always conflict with each other in molecular dynamics (MD) simulations. How to enhance the computational efficiency and keep accuracy at the same time is concerned by each c...
LCC LCC:Ocean engineering; TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Open Access
A Stopping Rule for Simulation‑Based Estimation of Inclusion Probabilities
Article
Article
Wojciech Gamrot · Lodz University Press · 2020 · ISSN 0208-6018
Design‑based estimation of finite population parameters such as totals usually relies on the knowledge of inclusion probabilities characterising the sampling design. They are directly incorporated into sampling weights...
LCC LCC:Marketing. Distribution of products; TENDOkZpbmFuY2U~Idioma English
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Open Access
Aerodynamic Characteristics of Isolated Loaded Tires with Different Tread Patterns: Experiment and Simulation
Article
Article
Haichao Zhou et al · KeAi Communications Co., Ltd · 2021 · ISSN 1000-9345
Abstract The current research of tire aerodynamics mainly focus on the isolated and simplified tread tire. Compared with the real complex pattern tire, the tread pattern structure and deformed profile of a loaded tire ha...
LCC LCC:Ocean engineering; TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Open Access
Data-Oriented Parallel-in-Time Electromagnetic Transient Simulation of AC–DC Grid
Article
Article
Yang Li et al · IEEE · 2026 · ISSN 2687-7910
An electromagnetic transient (EMT) simulation framework is developed by integrating the Parallel-in-Time algorithm with a data-oriented Entity–Component–System (ECS) architecture. The proposed method aims t...
LCC TENDOkRpc3RyaWJ1dGlvbiBvciB0cmFuc21pc3Npb24gb2YgZWxlY3RyaWMgcG93ZXI~; TENDOlByb2R1Y3Rpb24gb2YgZWxlY3RyaWMgZW5lcmd5IG9yIHIdioma English
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Open Access
Mechanism-driven ECG simulation framework for teaching drug-induced cardiac electrophysiology
Article
Article
Rittinarong Meepong et al · The American Physiological Society · 2026 · ISSN 1043-4046
Drug-induced cardiac arrhythmias are central to physiology and pharmacology education, yet students often struggle to connect electrophysiological mechanisms with dynamic electrocardiographic (ECG) changes. We developed ...
LCC TENDOlBoeXNpb2xvZ3k~Idioma English
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Material complementario
New method for fast coupled magnetic field-circuit simulation of power transformers based on a semi-analytical approach
Article
Article
Díaz, Guillermo A. et al · Elsevier · 2021 · ISSN 0142-0615
A novel mesh-free methodology for the coupled magnetic field-circuit simulation of power transformers is presented in this paper. The proposed methodology employs equivalent models for the conductors and the iron core, w...
Idioma English
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Open Access
A comparative analysis of cylindrical CFS-PML ABC for finite volume simulations in the frequency domain
Article
Article
Ana Paula M. Lima et al · Sociedade Brasileira de Microondas e Optoeletrônica e Sociedade Brasileira de Eletromagnetismo · 2014 · ISSN 2179-1074
A comparative analysis of two cylindrical complex-frequency-shifted perfectly matched layers (CFS-PML) absorbing boundary condition (ABC) for bi-dimensional (2-D) finite-volume (FV) simulations in the frequency domain is...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma English
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Open Access
A comparative analysis of cylindrical CFS-PML ABC for finite volume simulations in the frequency domain
Article
Article
Ana Paula M. Lima et al · Sociedade Brasileira de Microondas e Optoeletrônica e Sociedade Brasileira de Eletromagnetismo · ISSN 2179-1074
A comparative analysis of two cylindrical complex-frequency-shifted perfectly matched layers (CFS-PML) absorbing boundary condition (ABC) for bi-dimensional (2-D) finite-volume (FV) simulations in the frequency domain is...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma English
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Open Access
An automatic parallel scheme to design an augmented hydrokinetic river turbine using a simulation-based optimization approach
Article
Article
Dorella, Jonathan Jesus et al · Pergamon-Elsevier Science Ltd · 2023 · ISSN 0029-8018
The effect of diffuser-enhanced flow on the energy extraction performance of hydrokinetic turbines is widely reported in the literature. In this context, this work combines automatic scripting for geometry construction a...
Idioma English
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Open Access
Comparative Evaluation of Computational Methods for Modeling SARS-CoV-2 Spike Protein RBD - Antibody Complexes
Article
Article
Vira Morozova et al · V. N. Karazin Kharkiv National University · 2025 · ISSN 2220-637X
Computational modeling of protein-protein interactions (PPIs) is a high priority because it is essential for understanding nearly all cellular functions and for addressing the limitations of time-consuming experimental m...
LCC TENDOkNoZW1pc3RyeQ~~Idioma English
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Open Access
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