First report on the synergy of Nepeta menthoides and Nepeta cephalotes essential oils for antimicrobial and preservation applications: A multi-ligand molecular docking simulation by Behrooz Alizadeh Behbahani, Mohammad Noshad, Fereshteh Falah, Farshid Zargari, Zahra Nikfarjam, Alireza Vasiee

“…The EOs exhibited notable levels of total phenolic (106.90–133.40 mg GAE/g) and flavonoids (45.52–53.60 mg QE/g) contents, and demonstrated substantial antioxidant and antimicrobial effects. The multi-docking simulations across E. coli and S. aureus PDBs revealed varied categories and scores, illuminating distinctive ligand-receptor interactions. …”
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Sensitivity Analysis and Numerical Simulation Study on Main Controlling Factors of Surface Movement and Deformation in Strip Filling Mining under Thick Unconsolidated Layers by Dequan Sun, Quanlin Wu, Xiaoyan Li, Zhaomin Zhang, Xiaotian Xu, Yang Li, Quansen Wu

“…In order to study the influence factors of surface movement and deformation, considering the influence factors of filling rate, key layer thickness, filling body strength, and unconsolidated layer thickness, FLAC 3D was used to simulate the surface movement deformation, and the orthogonal test method was used to analyze the simulation results, and the sensitivity of the main control factors affecting the surface deformation affected by strip filling mining was studied. …”
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Rainfall-Groundwater Table Fluctuations Impact on Root Zone Soil Water Simulated in Upflow for Crop Production Planning in Obio Akpa Watershed, Nigeria by Ikpe Udom, Samuel Nta, Godwin Usoh, Matthew Kamai, Boniface Ugwuishiwu

“…Gravimetric direct measurements of soil water contents were the inputs to UPFLOW model used to simulate the seasonal responses of GT to rainfall. …”
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Why the gaze behavior of expert physicians and novice medical students differ during a simulated medical interview: A mixed methods study by Rie Yamada, Kuangzhe Xu, Satoshi Kondo, Makoto Fujimoto

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Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains by Arun John, Vetrivel Umashankar, Subramanian Krishnakumar, Perinkulam Ravi Deepa

Subjects: “…β-ketoacyl reductase molecular dynamics simulation…”
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Numerical Simulations of the 1 May 2012 Deep Convection Event over Cuba: Sensitivity to Cumulus and Microphysical Schemes in a High-Resolution Model by Yandy G. Mayor, Michel D. S. Mesquita

“…This paper evaluates the sensitivity to cumulus and microphysics schemes, as represented in numerical simulations of the Weather Research and Forecasting model, in characterizing a deep convection event over the Cuban island on 1 May 2012. …”
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Use of an observer tool to enhance learning of anaesthesia resident’s non-technical skills during high-fidelity simulation: a randomised controlled trial by Caroline Havard, Viridiana Jouffroy, Agnès Le Gouez, Marie Bruyère, Samy Figueiredo, Philippe Roulleau, Dan Benhamou, Aurore Margat, Antonia Blanié

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The concentration of selected organophosphorus pesticides associated with PM10 in agricultural ambient air in Iran: Health risk assessment using Monte Carlo simulation by Asma Tabanasl, Amin Mohammadpour, Aboozar Soltani, Mohammad Hoseini, Mohammadali Baghapour

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Evaluating the implementation of person-centred care and simulation-based learning in a midwifery education programme in the Democratic Republic of Congo: a study protocol by Frida Temple, Ewa Carlsson Lalloo, Marie Berg, Urban Berg, Alumeti Munyali Désiré, Olivier Nyakio, Aline Mulunda, Malin Bogren

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Microstructural evolution of FeCoNiCrMn high-entropy alloy subjected to laser shock peening: Molecular dynamics simulation study by Weizhou Xu, Yongxiang Geng, Haizhong Zheng, Yixin Xiao

“…Molecular dynamics (MD) and Monte Carlo (MC) simulations are used to study the microstructural evolution of FeCoNiCrMn high-entropy alloys (HEA) after laser shock peening (LSP). …”
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Predicting the adsorption of -perfluorohexane in BAM-P109 standard activated carbon by molecular simulation using SAFT- Mie coarse-grained force fields by Carmelo Herdes, Esther Forte, George Jackson, Erich A Müller

“…This work is framed within the Eighth Industrial Fluid Properties Simulation Challenge, with the aim of assessing the capability of molecular simulation methods and force fields to accurately predict adsorption in porous media for systems of relevant practical interest. …”
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Runoff Simulation Study of Ganjiang River Basin Based on Distributed Time-varying Gain Hydrological Model and CN05.1 Precipitation Data by ZHONG Qi, FU Xiaolei, JIANG Xiaolei, ZHANG Yuchen, HU Leyi, ZHANG Liping

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Optimization of the heat transfer efficiency of a ground source heat pump heating system via FLUENT numerical simulation with fluid–solid coupling by Wei Wei

“…By using FLUENT software for fluid–solid coupling simulations, we evaluated the system performance under different operating conditions, covering both the winter heating and summer cooling modes. …”
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Study on SHP2 Conformational Transition and Structural Characterization of Its High-Potency Allosteric Inhibitors by Molecular Dynamics Simulations Combined with Machine Learning by Baerlike Wujieti, Mingtian Hao, Erxia Liu, Luqi Zhou, Huanchao Wang, Yu Zhang, Wei Cui, Bozhen Chen

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A study on data-driven and multi-scale modeling method for production system simulation “Model configuration and identification for flow shop production systems” by Satoshi NAGAHARA, Toshiya KAIHARA, Nobutada FUJII, Daisuke KOKURYO

Subjects: “…production system simulation…”
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Improving patient safety through better teamwork: how effective are different methods of simulation debriefing? Protocol for a pragmatic, prospective and randomised study by Wolf E Hautz, Juliane E Kämmer, Julia Freytag, Fabian Stroben, Dorothea Eisenmann

“…One common framework for teamwork training is crisis resource management, adapted from aviation and usually trained in simulation settings. Debriefing after simulation is thought to be crucial to learning teamwork-related concepts and behaviours but it remains unclear how best to debrief these aspects. …”
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New Evaluation Technique for WTG Design Wind Speed Using a CFD-Model-Based Unsteady Flow Simulation with Wind Direction Changes by Takanori Uchida, Takashi Maruyama, Yuji Ohya

“…Modelling and Simulation in Engineering…”
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Integrative genomic analyses combined with molecular dynamics simulations reveal the impact of deleterious mutations of Bcl-2 gene on the apoptotic machinery and implications in carcinogenesis by Ghazi Elamin, Ghazi Elamin, Zhichao Zhang, Depika Dwarka, Kabange Kasumbwe, John Mellem, Nompumelelo P. Mkhwanazi, Paradise Madlala, Paradise Madlala, Mahmoud E. S. Soliman

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Numerical Simulation on the Boiling Flow Patterns of Al2O3-Water Nanofluid in Micro/Minichannel under Different Hypergravity Levels and Directions by Gen Li, Xiande Fang

“…The VOF approach is employed for present simulation, and the standard κ−ε turbulence model with nonequilibrium wall function is used. …”
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Active Antialopecia Chemical Identification of Merremia peltata Leaves and Computational Study toward Androgen Receptor Using Molecular Docking and Molecular Dynamic Simulation by Syawal Abdurrahman, Ruslin Ruslin, Aliya N. Hasanah, Resmi Mustarichie, Mus Ifaya

“…Molecular dynamics simulation analysis with complex stability parameters based on solvent-accessible surface area (SASA), principal component analysis (PCA), root mean square deviation (RMSD), and root mean square fluctuation (RMSF) showed that bufotalinin has good affinity for androgen receptors. …”
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