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241 articles for “Simulations”
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Research ArticleOpen accessEvery word in the titleIdentification of Pharmacological Targets Combining Docking and Molecular Dynamics SimulationsIlizaliturri-Flores Ian, Rosas-Trigueros Jorge Luis, Carrillo-Vazquez Jonathan Pablo et al.Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of drug design; moreover, identification and optimization of the best ligand based on the structures of biomolecules are common scientific challenges. Geometric structural properties of biomolecules explain their behavior and interactions and … …American Journal of Agricultural and Biological Sciences, Vol. 8, Issue 1 · 21 Mar 2013 · 8,128 accessesView PDFCite
Research ArticleOpen accessEvery word in the titlePerformance Optimization of Physics Simulations Through Genetic AlgorithmsOksana Shadura, Federico Carminati, Anatoliy PetrenkoThe GeantV R&D approach is revisiting the standard particle transport simulation approach to be able to benefit from “Single Instruction, Multiple Data” (SIMD) computational architectures or extremely parallel systems like coprocessors and GPUs. The goal of this work is to develop a mechanism for optimizing the programs used for High-Energy Physics (HEP) particle transport simulations using a “black-box” optimization approach. … …Journal of Computer Science, Vol. 15, Issue 1 · 8 Jan 2019 · 8,091 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleUnderstanding Material Deformation in Nanoimprint of Gold using Molecular Dynamics SimulationsAbhaysinh Gaikwad, Salil DesaiMaterial deformation in nanoimprinting is explored through Molecular Dynamics (MD) simulations. Understanding the behavior of substrate material during the nanoimprinting process is imperative for high resolution nanoscale pattern transfer. Nanoimprinting of the gold has the potential to make significant impact in diverse areas such as microelectronics and biomedical research. The deformation of gold during nanoimprinting is studied for varying depths … …American Journal of Engineering and Applied Sciences, Vol. 11, Issue 2 · 24 May 2018 · 8,710 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleA Comparative Study on Barrier Option Pricing using Antithetic and Quasi Monte-Carlo SimulationsNneka Umeorah, Phillip MasheleMonte-Carlo simulations have been utilized greatly in the pricing of derivative securities. Over the years, several variance reduction techniques have been developed to curb the instability, as well as, increase the simulation efficiencies of the Monte-Carlo methods. Our approach in this research work will consider the use of antithetic variate techniques to estimate the fair prices of barrier options. Next, … …Journal of Mathematics and Statistics, Vol. 14, Issue 1 · 9 May 2018 · 8,793 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleEvaluation of Gaussian Plume Model against CFD Simulations through the Estimation of CO and NO Concentrations in an Urban AreaMahmoud BadyDispersion of air pollutants, Carbon monoxide (CO) and Nitrogen oxide (NO), due to three point sources and a high-density traffic road in an urban area located near the center of Tokyo, Japan was studied using two different approaches. The first is an analytical approach using Gaussian Plume Model (GPM) while the second is a numerical approach using Computational Fluid Dynamics … …American Journal of Environmental Sciences, Vol. 13, Issue 2 · 12 Apr 2017 · 7,907 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleQuantization of Map-Based Neuronal Model for Embedded Simulations of Neurobiological Networks in Real-TimeNikolai F. Rulkov, Ariel Mark Hunt, Peter N. Rulkov, Andrey G. MaksimovThe discreet-time (map-based) approach to modeling nonlinear dynamics of spiking and spiking-bursting activity of neurons has demonstrated its very high efficiency in simulations of neuro-biologically realistic behavior both in large-scale network models for brain activity studies and in real-time operation of Central Pattern Generator network models for biomimetic robotics. This paper studies the next step in improving the model computational … …American Journal of Engineering and Applied Sciences, Vol. 9, Issue 4 · 9 Nov 2016 · 8,775 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleDocking and Molecular Dynamics Simulations in Potential Drugs Discovery: An Application to Influenza Virus M2 ProteinMarine E. Bozdaganyan, Philipp S. Orekhov, Nicola L. Bragazzi et al.Molecular docking is a common method for searching new potential drugs. Improvement of the results of docking can be achieved by different ways-one of them is molecular dynamics simulations of protein-ligand complexes. As a model for our research we chose M2 membrane protein from influenza virus. M2 protein is a high selective tetrameric pH-gated proton channel. It was previously shown … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 11 Nov 2014 · 8,669 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleSimulations on Single Vacancy Defect Transients for Face-Center-Cubic StructureKwuanchanok Chansawang, Sunchai NilsuwankositThe simulations on single vacancy defect transients for FCC structure were conducted to study the change in its final structure, especially the average atomic volume. The numerical code &#34ALINE&#34 was employed for this purpose. The results obtained showed that when a single vacancy defect occurred in a perfect FCC-crystal structure, the average atomic volume was found to be suddenly increased … …Current Research in Biostatistics, Vol. 3, Issue 1 · 4 Sep 2013 · 6,675 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleSelf-Supervised Contrastive Learning for Steering Angle Prediction in Autonomous Driving SimulationsMaxson Phang, Suryadiputra LiawatimenaPredicting steering angles is a crucial task in autonomous driving, with end-to-end deep learning being a widely used approach. However, such models often suffer from overfitting to learned trajectories, limiting their generalization to new data. To address this, self-supervised contrastive learning is explored as an alternative, allowing models to learn meaningful representations without labeled data. The primary objective is to … …Journal of Computer Science, Vol. 21, Issue 9 · 20 Oct 2025 · 2,581 accessesView PDFCite
Research ArticleOpen accessEvery word in the titleSimulations of Two-dimensional High Speed Turbulent Compressible Flow in a Diffuser and a Nozzle Blade CascadeK. C. Ng, M. Z. Yusoff, T. F. YusafThis research describes the development of a new structured 2D CFD solver for compressible flow. The high-speed turbulent flow in a diffuser and a cascade of nozzle blade is predicted using standard k-ε turbulence model. The new finite volume CFD solver employs second-order accurate central differencing scheme for spatial discretization and multi-stage Runge-Kutta time integration to solve the set of … …American Journal of Applied Sciences, Vol. 2, Issue 9 · 30 Sep 2005 · 6,550 accessesView PDFCite