INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION最新文献

{"title":"Ac-Dc multi pulse converter for dc power distribution system in aircraft","authors":"Erol Can, Ugur Kilic","doi":"10.1080/02286203.2023.2269836","DOIUrl":"https://doi.org/10.1080/02286203.2023.2269836","url":null,"abstract":"ABSTRACTThe Transformer Rectifier Unit (TRU) in aircraft is DC power supplies. Three-phase AC power supplies are available as long as they work. DC power distribution, on the other hand, provides DC power directly to all DC users, providing input power to the emergency AC distribution system so that the static inverter can generate AC power. To the voltages produced by TRUs to be less oscillating and of higher quality, multi-pulse ones are studied and recommended for aircraft systems. In this study, Zener diode filtered multi-pulse rectifier, which can further reduce the oscillations in the output voltage, is recommended for aircraft. Three-phase half-wave rectifier design and analysis are presented to better demonstrate the effectiveness of Zener diode regulation in multi-pulse TRUs. First, the parts of the power system, which includes the rectifier circuit of a two-engine aircraft and fed by this rectifier, are given. The circuit structure and working order of the rectifier are given with mathematical explanations. In the application phase, low oscillating output voltages and currents are obtained by creating currents and voltages on the load for different Zener voltages. Conventional rectifiers and the proposed rectifier are tested on the same loads, and comparisons are done.KEYWORDS: TRUZener diode regulationtwo-engine aircraft Disclosure statementThe author does not have any competing financial, professional, or personal interests from other parties.Additional informationNotes on contributorsErol CanErol Can received his master’s degree in 2010 from the Department of Electrical Engineering at Karadeniz Technical University. He received his Ph.D. from the Department of Electric at Gazi University in 2016. He still works at Erzincan Binali Yıldırım University as Assoc. Prof. Dr.Ugur KilicUgur Kilic received his master’s degree in 2016 from the Department of Electrical and Electronics Engineering at Fırat University. He received his Ph.D. from the Department of Avionics at Eskisehir Technical University in 2021. He still works at Erzincan Binali Yıldırım University as Asst. Prof. Dr.","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"56 6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134974077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A theoretical investigation on heat transport feature of Sutterby nanofluid flow above a conical surface","authors":"N. Sandeep, M.Girinath Reddy, Suresh Babu R, Niraj Rathore, G.P. Ashwinkumar","doi":"10.1080/02286203.2023.2270673","DOIUrl":"https://doi.org/10.1080/02286203.2023.2270673","url":null,"abstract":"","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"60 9","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135322543","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Automated modelling of discrete-event processes. Discovering Petri nets including silent transitions by classifying event traces","authors":"Yolanda Álvarez-Pérez, Ernesto López-Mellado","doi":"10.1080/02286203.2023.2265531","DOIUrl":"https://doi.org/10.1080/02286203.2023.2265531","url":null,"abstract":"","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"2012 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135322859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The improved residual power series method for a system of differential equations: a new semi-numerical method","authors":"Abdullah Dawar, Hamid Khan, Saeed Islam, Waris Khan","doi":"10.1080/02286203.2023.2270884","DOIUrl":"https://doi.org/10.1080/02286203.2023.2270884","url":null,"abstract":"ABSTRACTThis paper presents the extension of Improved Residual Power Series Method (IRPSM) towards the system of ordinary differential equations (ODEs). The present system of ODEs is based on the thin film flow over an inclined planar surface. The proposed system is highly nonlinear. Additionally, some embedded factors are taken into the flow analysis in order to investigate the impacts of these parameters on the flow profiles. The method is coded in MATHEMATICA 12.0 software. The results of the present analysis show that the IRPSM has a fast convergence. The impacts of embedded parameters have been successfully investigated and have comparable effects on the flow profiles. Comparison of the present results with the results present in the literature has confirmed the validity of IRPSM. The IRPSM is also applicable to the systems of both linear and highly nonlinear ordinary and partial differential equations.KEYWORDS: Thin film flowboundary value probleminclined planar surfaceIRPSM Nomenclature Symbol/Expression=Nameu,v,w=Velocity components ms−1x,y,z=Coordinates mΩ=Angular velocity rads−1T=Temperature KB0=Magnetic field strength Ω1/2 m−1 s−1/2kg1/2p=Pressure Paμ=Dynamic viscosity kgm−1s−1ρ=Density kgm−3ν=Kinematic viscosity m2 s−1k=Thermal conductivity Wm−1 K−1ρCp=Heat capacitance Jm−3 K−1σ=Electrical conductivity Ω−1 m−1W0=Spraying velocity ms−1α=Angle of inclination 0gˆ=Gravitational force m2 s−1L=Film thickness mδ=Normalized thickness factorM=Magnetic factorPr=Prandtl numberRex=Reynolds numberAbbreviations=ADM=Adomian decomposition methodVIM=Variational iteration methodHPM=Homotopy perturbation methodHAM=Homotopy analysis methodDTM=Differential transform methodOHAM=Optimal homotopy asymptotic methodLFRDTM=Local fractional reduced differential transformLFLVIM=Local fractional Laplace variational iteration methodKdV=Coupled Korteweg – De Vries equationHAM=Homotopy analysis methodOCM=Operational collocation methodFDM=Finite difference methodRPSM=Residual power series methodIRPSM=Improved residual power series methodIVPs=Initial value problemsBVPs=Boundary value problemsAcknowledgmentsThe authors express their cordial thanks to the respected Editor in chief and honorable reviewers for their valuable suggestions and comments to improve the presentation of this article.Disclosure statementThe authors declare that they have no known competing financial interest.Additional informationFundingNo funding was received for this work.Notes on contributorsAbdullah DawarAbdullah Dawar received his BS degree from Islamia College University, Peshawar, Pakistan and MS degree from Qurtuba University of Science and Information Technology, Peshawar, Pakistan. He is currently a PhD student at the Department of Mathematics, Abdul Wali Khan University, Mardan, Pakistan. He has published more than 80 research articles in well-reputed journals during his education career. His research proficiency includes magnetohydrodynamic, nanofluids, hybrid nanofluids, heat and mass","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"28 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135412870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Feature descriptors using super-pixels as fuzzy numbers","authors":"Issam Dagher","doi":"10.1080/02286203.2023.2274258","DOIUrl":"https://doi.org/10.1080/02286203.2023.2274258","url":null,"abstract":"ABSTRACTThe objective of this paper is to extract directly local important region descriptors using image super-pixels and fuzzy numbers. Previous works are based on extracting important feature points like corners in an image then region descriptors are formed around these features. Our novel contribution is to consider directly the most discriminative super-pixels as region descriptors. First, each super-pixel is considered as a fuzzy number. Then the alpha-cut which best represents the fuzzy number is obtained. Finally, according to these alpha-cuts and the cardinality of each fuzzy number the region descriptors are formed. Matching is done according to distances between fuzzy numbers. The Palm-print recognition problem was chosen to show the effectiveness of this approach.KEYWORDS: Regions descriptorssuper-pixelsfuzzy number Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationNotes on contributorsIssam DagherIssam Dagher finished his MS in electrical engineering degree in 1994 from Florida International University, Miami, USA. He finished his Ph.D. in 1997 at the University of Central Florida, Orlando USA. He is now a full professor at the University of Balamand, Lebanon. His areas of interest are pattern recognition, neural networks, artificial intelligence, and computer vision. He published many papers on these topics.","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"27 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135413752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bioconvection analysis of EMHD and dissipative Williamson nanofluid over a three dimensional Riga plate with Joule heating effect","authors":"Mojeed T. Akolade, Tayyaba Akhtar, Mohamed M. Awad, Yusuf O. Tijani, Adeshina T. Adeosun","doi":"10.1080/02286203.2023.2265524","DOIUrl":"https://doi.org/10.1080/02286203.2023.2265524","url":null,"abstract":"ABSTRACTThe current study investigates the weakly hydromagnetic and bioconvection nanofluid flow of Williamson fluid, which conveys gyrotactic microorganisms, over a three-dimensional Riga surface. The primary objective is to stabilize biological, mechanical, and thermal systems through the introduction of exponentially decaying rheology in both the momentum and energy equations, known as the electro-magneto-hydrodynamic actuator (EMHD). As such, the working fluid is assumed to be dissipative, with significant consideration given to the magnetic Reynolds number and a higher-order reaction rate. To simplify the phenomenon of suspended nanoparticles’ bioconvection, an appropriate similarity transformation is applied, converting the system of partial differential equations (PDEs) into systems of ordinary differential equations (ODEs). To analyze the governing flow parameters, the numerical approach, Galerkin Weighted Residual Method (GWRM), is employed. The results are presented through tables and graphs, providing valuable insights. The findings of the study highlight that Hartmann number improves the weak movement of the Williamson fluid, thermophoresis number positively affects all flow distributions. Moreover, the temperature field is influenced by Brownian motion, leading to inflation, while the concentration field experiences a decrease due to a lower number of fluid particles available for reaction. Furthermore, higher buoyancy forces indicate significant fluid movement, resulting in a reduction in the Williamson fluid chemical reaction rate.KEYWORDS: Gyrotactic microorganismsWilliamson fluidGalerkin methodNanoscienceEMHDRiga plate Nomenclature j0=current density [A/L2]M0=surface magnetic property [Wb/L2]μ=variable fluid viscosity [kgL−1s−1]C=fluid concentration [mol.]ρ=fluid density [Kgm−3]ν=kinematic viscosity [L2/s]β4=material constant [-]β1=viscosity parameterNt=Thermophoresis number [-]Sc=Schmidt number [-]K=Williamson fluid parameter [-]Gn=Gyrotatic Grashof number [-]Ec=Local Eckert number [-]λ=chemical reaction parameter [-]Tw=temperature density [K]Cw=concentration density [mol.L−3]C∞=free stream concentration [mol.L−3]w=velocity component in the z− [Ls−1]u=velocity component in the x− direction [LS−1]Kr=rate of reaction [S−1]ρf=density of the fluid [Kg/L3]r0=diameter of the magnets [L]Do=mass diffusivity[L2/s]T=fluid temperature [K]Cp=specific heat capacity [J/kg.K]Ha=modified Hartman number [-]β2=thermal conductivity [WL−1K−1]Nb=Brownian motion [-]β5=stretching ratio [-]Pr=Prandtl number [-]Gr=thermal Grashof number [-]χ=bioconvection constant [-]Le=Lewis number [-]Pe=Peclet number [-]Nw=motile density [mol.Kg−1]T∞=free stream temperature [K]N∞=free Stream motile microorganisms [mol.Kg−1]v=velocity component in the y− direction [LS−1]x,y,z=cartesian coordinate system [L]AcknowledgmentsThe authors appreciates and acknowledge the reviewers for their constructive comments. Thanks you for your time.Disclosure statementNo potential confl","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"5 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135567548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improvement of power quality in WT-DFIG systems using novel direct power control based on fuzzy logic control under randomness conditions","authors":"Karim Fathi Sayeh, Salah Tamalouzt, Younes Sahri","doi":"10.1080/02286203.2023.2270757","DOIUrl":"https://doi.org/10.1080/02286203.2023.2270757","url":null,"abstract":"ABSTRACTIn this paper, a novel direct power control technique founded on fuzzy logic controller (FLC-DPC) is selected to master and control the DFIG for wind energy conversion system (WECS). The fuzzy logic controller replaces both hysteresis regulators and the switching table in the proposed strategy. Seeking to enhance the control and overcome the defects associated with the conventional DPC (C-DPC) technique, this control depends on the errors of both active and reactive powers. The suitable rotor voltage vector for the inverter is obtained by FLC-DPC. The proposed control strategy is applied to the WT-DFIG system, in order to study its effectiveness. To reflect a real WECS operation, this study considers the wind’s random behaviour in successive and continuous ways throughout all WT-DFIG operating modes. Also, it takes into consideration all compensated local reactive power modes. The studied system and the proposed control were tested under MATLAB/Simulink environment. The obtained results showed the high effectiveness of the proposed control in terms of response time, robustness and ease. Consequently, C-DPC’s drawbacks are eliminated, and the ripples in compensated local reactive and produced active powers are reduced. Additionally, the total harmonic distortions (THDs) of injected currents are reduced, which improves their quality.KEYWORDS: Renewable energywind power conversion systemDFIGDPCfuzzy logic control Disclosure statementNo potential conflict of interest was reported by the author(s).Additional informationNotes on contributorsKarim Fathi SayehKarim Fathi Sayeh is currently a Ph.D. candidate in Renewable Energy Systems Control at the University of Bejaia, Algeria. He has a Master's in Electromechanical Engineering from the University of Djelfa, Algeria in 2021. His areas of research interest encompass Artificial Intelligence, Hybrid Renewable Energy Systems, Non-linear and Intelligent Control, as well as Energy Management.Salah TamalouztSalah Tamalouzt was born in Bejaia (Algeria). He received an engineering diploma in Electrical Engineering, specializing in Electrical Networks, and a Magister in Electrical Engineering, specializing in Power Electronics, from the University of Bejaia and the University of Batna, respectively. In 2017, he obtained his PhD diploma from the University of Bejaia. Since 2019, he has been a Senior Lecturer Class A and a Senior Researcher in the Electrical Engineering Department at the University. His research interests include Power Electronics, Modeling, Control and Management of Renewable Energy and Hybrid Energy Systems (such as Photovoltaic Systems, Wind Systems, Fuel Cells, Hydrogen), Hybrid Storage, Energy Management for Multi-Source Renewable Energy Systems, Supervision and Optimization of Micro-Grids, as well as Control and Optimization by Artificial Intelligence of Renewable Energy Systems, with a focus on Modeling and Control of Electric Machines and Drives.Younes SahriYounes Sahri was born in","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"9 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135617921","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Heat and mass transfer in Maxwell fluid with nanoparticles past a stretching sheet in the existence of thermal radiation and chemical reaction","authors":"N. Venkatesh, R. Srinivasa Raju, M. Anil Kumar, Ch. Vijayabhaskar","doi":"10.1080/02286203.2023.2266798","DOIUrl":"https://doi.org/10.1080/02286203.2023.2266798","url":null,"abstract":"ABSTRACTThe objective of this work is to examine the distinctive features of heat and mass transfer in a 2-dimensional Maxwell fluid that is incompressible and contains electrically conducting nanoparticles. They are illustrated by using a stretched sheet with convective boundary conditions and a heat source/sink in the presence of thermal radiation and chemical interaction. Studies of hydromagnetic flow and heat transfer across a stretched sheet have lately attracted a great deal of attention as a result of its numerous industrial applications and a huge impact on a broad variety of manufacturing processes. Power plants, heat exchangers, MHD generators, aerodynamics, plastic sheet extrusion, condensation processes, and metal spinning are examples of these processes. The partial differential equations (PDEs) that govern the flow and the boundary conditions that correspond with them may be non-dimensionalized by using the appropriate similarity variables. The resulting transformed ordinary differential equations (ODEs) are solved using the Runge-Kutta-Fehlberg scheme of the fourth and fifth order. By assuming a value for the boundary condition, the shooting approach transforms the boundary value problem (BVP) into an initial value problem (IVP), which is subsequently solved using the RKF45 algorithm. Graphical representations of how such embedded thermo-physical parameters significantly impact the velocity, temperature, and concentration are assessed and shown. A comparison case study is made with previously published literature, and a great correlation between the results exists. The primary results of the research are that raising estimates of the chemical reaction parameter minimises the concentration distribution while increasing the thermal radiation parameter raises the temperature. As the quantity of thermophoresis rises, the thickness of the boundary layer increases, causing the surface temperature to rise, resulting in a temperature rise.KEYWORDS: Stretching sheetnanoparticlesthermal radiationMaxwell fluid Nomenclature Bi=Biot numberc=positive constantC=Concentration of the fluid molm−3Cw=Fluid concentration at the wall molm−3C∞=Fluid Concentration at infinity molm−3Cs=Concentration susceptibilityCp=Specific heat at constant pressure J.Kg−1.KCf=Skin frictionDB=Brownian diffusionDT=Coefficient of thermophoretic diffusionDM=Mass diffusivity m2.s−1f=Dimensionless velocity stream functionhf=Heat transfer coefficientk=Thermal conductivity ω.m−1.K−1k0=Maxwell fluid relaxation timeKT=Thermal-diffusion ratio parameterKr=Chemical reaction parameterLe=Lewis NumberNb=Brownian Motion ParameterNt=Thermophoresis parameterNr=Radiation ParameterNux=local Nusselt numberPr=Prandtl numberShx=local Sherwood numberT=Temperature of fluid near the plate KTw=Fluid temperature closer to the wallKT∞=fluid Temperature at infinity KTf=The temperature of hot fluidu=Dimensionless velocity along x-axism.s−1v=Dimensionless velocity along of y- axism.s−1x,y=Cartesian coo","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135759097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring sterol transportation behavior of the Niemann-Pick C1-like 1 protein with V55L mutation: Sterol-NPC1L1 N-terminal binding energy estimation via molecular dynamics simulations","authors":"Hye-Jin Yoon, Yeeun Lee, Sun-Hong Kim, Eunae Kim, Hyung Ho Lee, Soonmin Jang","doi":"10.1080/02286203.2023.2265543","DOIUrl":"https://doi.org/10.1080/02286203.2023.2265543","url":null,"abstract":"ABSTRACTThe Niemann-Pick C1-like 1 (NPC1L1) protein facilitates cholesterol absorption in the small intestine and mediates the absorption of other sterols, including vitamins E, vitamin K1, and coenzyme Q10 (CoQ10). Ezetimibe is a drug used to treat high blood cholesterol and lipid abnormalities. However, V55L/I1223N and non-conserved V55 mutations in humans and rats, respectively, have been linked to ezetimibe insensitivity. In this study, molecular modeling, which combines the molecular dynamics simulations with the molecular mechanics Poisson-Boltzmann surface area approach, was used to estimate the change in the binding free energy of the NPC1L1 N-terminal domain (NTD) owing to the V55L mutation, Further, free energy changes for the three sterols namely, vitamin E, vitamin K1, and CoQ10 were estimated. The current study found that the V55L mutation reduced the cholesterol to NPC1L1-NTD binding free energy, which compensates for the decreased cholesterol passage through the putative tunnel induced by the ezetimibe. Therefore, molecular modeling of the free energy changes owing to mutations can successfully provide insights into the intricate details of drug inhibitors.KEYWORDS: Molecular dynamics simulationmolecular dockingNiemann-pick type C (NPC) disease, cholesterol transport AcknowledgmentsThis work was supported by National Research Foundation of Korea (NRF) grants funded by the Korean government under Grant numbers 2021R1A2C1004388 to HYJ, 2022R1A2B5B02002529 and 2022R1A5A6000760 to LHH). This work was supported by the National Supercomputing Center with supercomputing resources, including technical support from KSC-2021-CRE-0253 and KSC-2022-CRE-0167 from HJY.Disclosure statementNo potential conflict of interest was reported by the authors.Author contributionsH.-J.Y., S.H.K., S.J., and H.H.L. conceived and designed the experiments. H. J. Y., E.K., and Y.L. performed the computations. All authors analyzed the data, compiled and edited the manuscript.Supplemental dataSupplemental data for this article can be accessed online at https://doi.org/10.1080/02286203.2023.2265543Additional informationFundingThe work was supported by the National Research Foundation of Korea [2022R1A2B5B02002529]; National Research Foundation of Korea [2022R1A5A6000760]; National Research Foundation of Korea [2021R1A2C1004388].Notes on contributorsHye-Jin YoonHye-Jin Yoon is a research professor. Her research area is structural biochemistry including biomolecular structure determination using X-ray crystallography.Yeeun LeeYeeun Lee is a Ph.D. candidate student after receiving a MS Degree in science. She is under the supervision of Professor S. Jang.Sun-Hong KimSun-Hong Kim is a Ph.D. candidate student under the guidance of Professor H. H. Lee.Eunae KimEunae Kim is a professor, who specializes in drug discovery and biomolecular simulation.Hyung Ho LeeHyung Ho Lee, an associate professor, specializes in membrane proteins, including receptors and channels, using X-r","PeriodicalId":36017,"journal":{"name":"INTERNATIONAL JOURNAL OF MODELLING AND SIMULATION","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135093680","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}