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98 results for “Dynamics Simulation”
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Research ArticleOpen accessEvery word in the titleSIMULATION OF NANO-SCALE CUTTING WITH MOLECULAR DYNAMICSAngelos P. Markopoulos, Kalliopi-Artemi L. Kalteremidou, Dimitrios E. ManolakosThe simulation of nanometric cutting of copper with diamond cutting tools, with the Molecular Dynamics method is considered. A 2D model of orthogonal nano-scale cutting is presented and the influence of the depth of cut and tool rake angle on chip morphology and cutting forces is investigated. For the analysis, three different depths of cut, namely 10Å, 15Å and 20Å … …Current Research in Nanotechnology, Vol. 5, Issue 2 · 20 Apr 2015 · 7,369 accessesView PDFCite
Research ArticleOpen accessIn the keywordsIn-silico Rational Protein Engineering and Design Approach to Improve Thermostability of a Haloalkane Dehalogenase EnzymeRaghunath Satpathy, V. Badireenath Konkimalla, Jagnyeswar RathaThermostability of enzymes is a major prerequisite for use in industrial enzymology. There are as such no simple general principles for achieving thermostability in case of enzymes as many factors are required to fulfil for different enzymes. The present study describes computational methods to design thermostable haloalkane dehalogenase enzyme using the crystal structure available Protein Data Bank (PDB ID: 1EDE). … …Current Research in Bioinformatics, Vol. 4, Issue 2 · 13 Oct 2015 · 8,279 accessesView PDFCite
Research ArticleOpen accessIn the keywordsThe Computational Fluid Dynamic Simulation of Fire Evacuation from the Student DormitoryTeeranon Saelao, Supat PatvichaichodProblem statement: The aim of this research is to investigate the fire evacuation problem from the student dormitory by using the Numerical method. The Fire Dynamics Simulator Software was used in the research with the evacuation function (FDS + Evac.). The problem under investigation concerns the building that has the open-air centre. The characteristics of the building are included with … …American Journal of Applied Sciences, Vol. 9, Issue 3 · 2 Feb 2012 · 7,252 accessesView PDFCite
Research ArticleOpen accessIn the keywordsModeling Fire Evacuation of a Library Building based on the Numerical SimulationWithayavuth Jirasingha, Supat PatvichaichodProblem statement: This study investigates the fire evacuation problem of the library building by using the Fire Dynamics Simulator with Evacuation (FDS+Evac.) programming. Approach: The assumption is made that the sprinkler system is installed in the building but the system is malfunction, which is considered as the worst case of the situation. The simulations are divided into 4 cases, which … …American Journal of Applied Sciences, Vol. 8, Issue 5 · 17 May 2011 · 7,575 accessesView PDFCite
Research ArticleOpen accessIn the keywordsIn silico and in vitro Structural Analysis on the Interaction of Calmodulin and Calmodulin-Binding Motif of FKBP35 from Plasmodium knowlesiSazlinawatie Aladin, Cahyo Budiman et al.FK506-binding protein 35 (FKBP35) is a peptidyl-prolyl cis-trans isomerase found in Plasmodium knowlesi, a zoonotic malaria parasite responsible for concerning cases of malaria infection in East Malaysia. This protein contains a segment known as the calmodulin-binding motif (Pk-CBM), which is predicted to facilitate interaction with calmodulin from P. knowlesi (Pk-CaM). Although this interaction is considered promising for future antimalarial drug … …OnLine Journal of Biological Sciences, Vol. 25, Issue 2 · 10 Mar 2025 · 4,846 accessesView PDFCite
Research ArticleOpen accessIn the keywordsComputing MDR-Game with Applications to Real DataJimbo Henri Claver, Takeru Suzuki, Jesus Pascal et al.Originally developed for probability and statistic purposes, Multiple Dice Rolling (MDR) game turns out to be useful for many other applications such as complex biological systems and medical research. It has been mainly used to estimate system states that cannot be observed directly. MDR game is affected by noise and fluctuations. It is widely agreed that noise in dynamic systems … …Journal of Computer Science, Vol. 14, Issue 7 · 17 Jul 2018 · 7,789 accessesView PDFCite
Research ArticleOpen accessIn the keywordsVirus Dynamics in VivoGuang Wu, Shaomin YanIn this study, we model the interaction among antibody, virus, host cell, immune cell and normal cell as random collisions, because antibody and virus are unlikely to have efficient driving systems. Then we use the model II of waiting times to analyze the collision between antibody and virus with a certain number of normal cells, and use the Monte-Carlo simulation … …American Journal of Infectious Diseases, Vol. 1, Issue 4 · 31 Dec 2005 · 6,273 accessesView PDFCite
Research ArticleOpen accessIn the keywordsDegradation of Power Generation Performance due to Effects of Various Ice Shapes and Accretions on Wind Turbine BladesAditya Bagade, Changki Mo, Abdelhamid MazherIn today’s world, green energy has become a key initiative as an alternative energy resource. Wind turbines are widely used to harvest wind energy in seasonal and cold environments. Although efficient, cold weather conditions negatively affects wind turbine operations due to ice formation. Damage from icing is seen on blade-tips when super-cooled water droplets that form in colder environments rapidly … …Energy Research Journal, Vol. 6, Issue 2 · 11 Sep 2015 · 7,815 accessesView PDFCite
Research ArticleOpen accessIn the abstractUPLC-Q-Exactive Orbitrap-MS Analysis of Anchusa italica Retz. Flowers: Molecular Docking, Dynamics Modeling, and Pharmacokinetics for Cardiovascular DiseaseLinyang Wang, Yan Chen, Ainiwaer Aikemu, Shuge TianThis study builds on prior UPLC-Q-Exactive Orbit rap-MS analyses of Anchusa italica Retz. Flowers (Airfs) to explore their anti-cardiovascular mechanis·ms and key bioactive markers. UPLC-Q-Exactive Orbitrap-MS identified 30 major compounds, including polyphenols and flavonoids with strong antioxidant activity. The potential active ingredients were then screened using Lipinski's rule of five, and a network pharmacology method was employed to construct an … …American Journal of Biochemistry and Biotechnology, Vol. 21, Issue 2 · 25 Oct 2025 · 2,599 accessesView PDFCite
Research ArticleOpen accessIn the abstractMechanism Analysis of Artemisinin and Artesunate as Lung Cancer Therapy Agents Through in Silico MethodDidik Harmoko, Vivitri Dewi Prasasty, Adi YulandiSeveral in vitro studies have focused on the ability of artemisinin and its derivatives to suppress lung cancer cells, but there are still many biological processes and mechanisms, such as the interactions between the active compounds (ligands) and receptors that are not well understood and require further research. Drug targeting for lung cancer will be more precise and the inhibition … …OnLine Journal of Biological Sciences, Vol. 24, Issue 3 · 15 Feb 2024 · 6,144 accessesView PDFCite