Molecular docking and molecular dynamics simulation studies of inhibitor candidates against Anopheles gambiae 3-hydroxykynurenine transaminase and implications on vector control by Eunice O. Adedeji, Olubanke O. Ogunlana, Gbolahan O. Oduselu, Rainer Koenig, Ezekiel Adebiyi, Opeyemi S. Soremekun, Segun Fatumo

“…The top three identified hits were subjected to 300 ns molecular dynamics simulation using AMBER 18 and ADMET analysis using SWISSADME predictor and ADMETSAR. …”
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Verification of Lactobacillus brevis tolerance to simulated gastric juice and the potential effects of postbiotic gamma-aminobutyric acid in streptozotocin-induced diabetic mice by Amro Abdelazez, Heba Abdelmotaal, Smith Etareri Evivie, Maha Bikheet, Rokayya Sami, Hassan Mohamed, Xiangchen Meng

“…., (growth rate, viability at different pH, bile tolerance, and survivability in simulated gastric juice) were performed. In vivo experiments were conducted in 7 groups of C57BL/6J mice. …”
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Construction of reusable fluorescent assembled 3D-printed hydrogen-based models to simulate minimally invasive resection of complex liver cancer. by Wenli Cao, Xiaofeng Pan, Liming Jin, Jie Liu, Jie Cao, Lei Jin, Fangqiang Wei

“…Based on the models, multiple copies of liver lesion structure assembled accessories can be printed for the same patient or different patients, ensuring the quantity and quality of simulated surgical training, and greatly reducing the cost of simulated surgical training. …”
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Effect of simulated gastrointestinal digestion on antioxidant, and anti-inflammatory activities of bioactive peptides generated in sausages fermented with Staphylococcus simulans QB7 by Hongying Li, Hongbing Fan, Zihan Wang, Qiujin Zhu, Jianping Wu

“…This study focused on evaluating the effect of peptide extracts from sausages fermented with Staphylococcus simulans QB7 during in vitro simulated GI digestion, including peptide profiles and antioxidant and anti-inflammatory activities. …”
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Effectiveness of a blended (distance and in-person) simulation education program on advanced cardiac life support for nursing students using the PARTNER model by Miyoung Kang, Eunju Lee

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Numerical Simulations of Airborne Glaciogenic Cloud Seeding Using the WRF Model with the Modified Morrison Scheme over the Pyeongchang Region in the Winter of 2016 by Sanghee Chae, Ki-Ho Chang, Seongkyu Seo, Jin-Yim Jeong, Baek-Jo Kim, Chang Ki Kim, Seong Soo Yum, Jinwon Kim

“…A model was developed for simulating the effects of airborne silver iodide (AgI) glaciogenic cloud seeding using the weather research and forecasting (WRF) model with a modified Morrison cloud microphysics scheme. …”
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Numerical Simulations of the Square Lid Driven Cavity Flow of Bingham Fluids Using Nonconforming Finite Elements Coupled with a Direct Solver by R. Mahmood, N. Kousar, M. Yaqub, K. Jabeen

“…In this paper, numerical simulations are performed in a single and double lid driven square cavity to study the flow of a Bingham viscoplastic fluid. …”
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Retracted: Dynamic Response of a Semiactive Suspension System with Hysteretic Nonlinear Energy Sink Based on Random Excitation by means of Computer Simulation by null Complexity

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A Pseudopotential Lattice Boltzmann Method for Simulation of Two-Phase Flow Transport in Porous Medium at High-Density and High–Viscosity Ratios by Eslam Ezzatneshan, Reza Goharimehr

“…In this work, the capability of a multiphase lattice Boltzmann method (LBM) based on the pseudopotential Shan-Chen (S-C) model is investigated for simulation of two-phase flows through porous media at high-density and high–viscosity ratios. …”
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Fast Simulation of the Flow Field in a VAWT Wind Farm Using the Numerical Data Obtained by CFD Analysis for a Single Rotor by Yutaka Hara, Md. Shameem Moral, Aoi Ide, Yoshifumi Jodai

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Unveiling the mechanism of action of a novel natural dual inhibitor of SARS-CoV-2 Mpro and PLpro with molecular dynamics simulations by Xiaoxia Gu, Xiaotian Zhang, Xueke Zhang, Xinyu Wang, Weiguang Sun, Yonghui Zhang, Zhengxi Hu

“…Molecular dynamics simulations suggest that sydowiol B inhibits Mpro by limiting active site expansion rather than inducing collapse. …”
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Effects of empathy mapping and mini-simulation on second-year nursing students’ empathy and communication self-confidence: a quasi-experimental study by Hsiang-Ping Huang, Yun Tien, Yung-Chang Lin, I-Chen Yu, Nai-Hui Chien

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Impact Evaluation of Assimilating Surface Sensitive Infrared Radiance Observations over Land and Sea Ice from Observing System Simulation Experiments by S. K. Dutta, L. Garand, S. Heilliette

“…In this study, Observing System Simulation Experiments (OSSEs) are conducted to analyze the impact of assimilating surface sensitive infrared radiance observations over land and sea ice. …”
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Sources analysis and risk assessment of heavy metals in soil in a polymetallic mining area in southeastern Hubei based on Monte Carlo simulation by Jing Wang, Bo Wang, Qibin Zhao, Jinnan Cao, Xiao Xiao, Di Zhao, Zhenya Chen, Di Wu

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A Prediction Method Based on Monte Carlo Simulations for Finite Element Analysis of Soil Medium considering Spatial Variability in Soil Parameters by Kedong Tang, Jialiang Wang, Lielie Li

“…The proposed method introduces a distance space to the Monte Carlo Method (MCM) random field instances and, considering the importance of a safety margin in structures, uses selected spatial interpolation to predict the MCM instances to be solved. Two case study simulations are presented. The results show that compared to the full Monte Carlo Simulation, the fast calculation method proposed in this paper can achieve very accurate convergence results while substantially reducing the computational cost, and the simulation errors for the structure are on the safer side.…”
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Simulating data breaches: Synthetic datasets for depicting personally identifiable information through scenario-based breachesMendeley DataMendeley Data by Abhishek Sharma, May Bantan

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A simulation work for generating a novel dataset to detect distributed denial of service attacks on Vehicular Ad hoc NETwork systems by Fahd A Alhaidari, Alia Mohammed Alrehan

“…Therefore, in this article, we proposed a novel simulation technique to generate a valid dataset called Vehicular Ad hoc NETwork distributed denial of service dataset, which is dedicated to Vehicular Ad hoc NETworks. …”
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Predicting the Need for Supplemental Oxygen During Airline Flight in Patients with Chronic Pulmonary Disease: A Comparison of Predictive Equations and Altitude Simulation by Ana C Bradi, Marie E Faughnan, Matthew B Stanbrook, Eva Deschenes-Leek, Kenneth R Chapman

“…Screening guidelines, predictive equations based on ground level measurements and altitude simulation laboratory procedures have been recommended for determining risk but have not been rigorously evaluated and compared.…”
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Monte Carlo Simulation and Exact Statistical Mechanical Lattice Models as a Development Tool for Zeolite Multi-Component Adsorption Isotherm Derivation by G. Manos, L.J. Dunne, S. Jalili, A. Furgani, T. Neville

“…In contrast, the lattice model adsorption isotherms can be parameterized by comparing with those obtained by Monte Carlo simulation and thereafter used to cheaply and rapidly explore a very wide range of mixture concentrations and conditions. …”
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Optimization progress of large-scale radiation shielding Monte Carlo simulation software based on AIS variance reduction technique system: MCShield by Wu Jiajun, Wu Zhen, Hu Ankang, Hao Yisheng, Pu Yanheng, Zhang Hui, Qiu Rui, Li Junli

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