• Title/Summary/Keyword: Modeller

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A Study on the New Method for Structural Analysis and Design by MDO(Multidisciplinary Design Optimization) Methodology : Application to Structural Design of Flap Drive System (MDO기법에 의한 새로운 구조해석 및 설계기법 고찰: 플랩 구동장치의 구조설계에의 적용)

  • 권영주;방혜철
    • Korean Journal of Computational Design and Engineering
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    • v.5 no.2
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    • pp.184-195
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    • 2000
  • MDO (Multidisciplinary Design Optimization) methodology is an emerging new technology to solve a complicate structural analysis and design problem with a large number of design variables and constraints. In this paper MDO methodology is adopted through the use of computer aided systems such as Geometric Solid Modeller, Mesh Generator, CAD system and CAE system. And this paper introduces MDO methodology as a new method for structural analysis and design through the application to the structural design of flap drive system. In a MDO methodology application to the structural design of flap drive system, kinetodynamic analysis is done using a simple aerodynamic analysis model for the air flow over the flap surface instead of difficult aerodynamic analysis. Simultaneously the structural static analysis is done to obtain the optimum structural condition. And the structural buckling analysis for push pull rod is also done to confirm the optimum structural condition (optimum cross section shape of push pull rod).

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3D Structure Prediction of Human 5-Hydroxytryptamine Receptor 7 (5-HT7R)

  • Madhavan, Thirumurthy
    • Journal of Integrative Natural Science
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    • v.11 no.2
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    • pp.87-92
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    • 2018
  • 5-Hydroxytryptamine receptor 7 ($5-HT_7R$) is one of G-Protein coupled receptors, which is found to be involved in the pathophysiology of various neurological disorders including depression, sleep disorders, memory deficiency and neuropathic pain. After activation of $5-HT_7R$ by serotonin, it activates the production of the intracellular signaling molecule cyclic AMP. The availability of 3D structure of the receptor would enhance the development of new drugs. Hence, in the present study, homology modelling of human 5-hydroxytryptamine receptor 7 ($5-HT_7R$) was performed using comparative modelling (Easy Modeller) and threading (I-TASSER) approaches. The generated models were validated using Ramachandran plot and ERRAT plot and the best models were selected based on the validation results. The 3D model developed here could be useful for identifying crucial residues and further docking study.

Development of a PC based Simulator for Excavator Manipulation using Virtual Reality (PC기반의 가상현실을 이용한 굴삭기 조작 시뮬레이터 개발)

  • Lee, Se-Bok;Kim, In-Shik;Cho, Chang-Hee;Kim, Sung-Soo
    • Proceedings of the KSME Conference
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    • 2000.04a
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    • pp.536-541
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    • 2000
  • A low cost PC based simulator for excavator manipulation has been developed using virtual reality technology. The simulator consists of two joystick input devices, server and client PCs, an excavator kinematics module, and a graphic rendering program Open Inventor. In order to use two joysticks in the PC window environment multi-thread programing with network protocol TCP/IP has been used. To provide realistic view to the operator, CAD program Pro/Engineer and 3D modeller have been employed to create 3D part geometry of tile manipulator and virtual environmental geometries. Those geometries also have been transformed and imported to the Open Inventor. The Simulator developed is to be improved for more realistic excavator operational training.

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A Study on the Development of Knowldege-based Computer Aided Manufacturing System for Mold Manufacturing(1) -On the modelling of feature based model and database processing with knowledge- (금형 가공용 지식기반 CAM 시스템의 개발에 관한연구 (1) -특징 형상 모델링 및 짓기 베이스화에 관하여 -)

  • 정재현
    • Journal of Advanced Marine Engineering and Technology
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    • v.23 no.5
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    • pp.622-629
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    • 1999
  • This paper presents the development of an interactive knowledge-based CAM system for design-ing and manufacturing the mold. The system is composed of two functional parts. One is the geo-metric modeller that uses the feature-based models. The models include base plate step, hole, pocket, boss and slot, These are designed by interactive user interface. The other is the expert sys-tem module with inference engine and knowledge database of workpiece material tools manufac-turing machines process an working conditions. With two parts the final mold shape is generated with manufacturing information for effective production.

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Comparative Homology Modeling and Ligand Docking Study of Human Catechol-O-Methyltransferase for Antiparkinson Drug Design

  • Lee, Jee-Young;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
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    • v.26 no.11
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    • pp.1695-1700
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    • 2005
  • Catechol-O-methyltransferase (COMT, EC 2.1.1.6) is an S-adenosylmethionine (SAM, AdoMet) dependent methyltransferase, and is related to the functions of the neurotransmitters in various mental processes, such as Parkinson’s disease. COMT inhibitors represent a new class of antiparkinson drugs, when they are coadministered with levodopa. Based on x-ray structure of rat COMT (rCOMT), the three dimensional structure of human COMT (hCOMT) was constructed by comparative homology modeling using MODELLER. The catalytic site of these two proteins showed subtle differences, but these differences are important to determine the characterization of COMT inhibitor. Ligand docking study is carried out for complex of hCOMT and COMT inhibitors using AutoDock. Among fifteen inhibitors chosen from world patent, nine models were energetically favorable. The average value of heavy atomic RMSD was 1.5 $\AA$. Analysis of ligand-protein binding model implies that Arg201 on hCOMT plays important roles in the interactions with COMT inhibitors. This study may give insight to develop new ways of antiparkinson drug.

A Study on the Appropriateness of Virtual Machine for Reverse Engineering (역공학을 위한 가상머신의 적합성에 대한 연구)

  • Oh, Seokhyung;Chang, Byoungchun;Ro, Yunsik
    • Transactions of the Korean Society of Automotive Engineers
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    • v.22 no.6
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    • pp.31-38
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    • 2014
  • The purpose of this study is to make virtual machine using a 3D modeller to perform reverse engineering. Through the intuitive designer's ability, approximated model of the object is created and used to extract the data and NC tool path. The extracted data make approximated curve by using NURBS curve fitting. And the curve is used to remodel. From these series of process, the final reverse engineering data of the objects can be obtained. Two conclusions are drawn from this study. First, initial deviation of the intuitive model is one of the important factors that determine the number of repetitions of the experiment. Due to the characteristic of intuitive curve, after a certain number of repetitions the average deviation increase and radiate rather than decrease.

Development of Integrated Planning Simulation Model for Supporting Rural Village Planning (농촌마을계획 지원을 위한 통합계획모의모형의 개발)

  • Kim, Dae-Sik;Chung, Ha-Woo
    • Journal of Korean Society of Rural Planning
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    • v.9 no.4 s.21
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    • pp.43-51
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    • 2003
  • This study aims to integrate the simulation models for rural settlement planning (SimRusep) in the district level (Myon) area of rural counties. The SimRusep, which has two modules of key villages selection and spatial planning for the selected villages, consists of four sub-models such as the spatial location-allocation model of center villages (SLAMCV), the potential centrality evaluation model (PCEM), the land use planning model (LUPM), and the 3-dimensional spatial planning modeller (3DSPLAM). Basically, map data of the integrated system which can be operated on the UNIX environment is inputted and treated using GIS (ARC/INFO) and then its village planning results is graphically presented on the AutoCAD. In order to verify the practical applicabilities of the SimRusep, an administrative area, Ucheon-myun, HoengSung-gun, KangWon-do, was selected as a case study area. It was well operated in the strategic application trials considering application of each sub-model in the study area. The operation results of the SimRusep showed the possibilities of realtime simulation from the selection of key village to its final stereoscopic presentation of planned results. Alternative village plan proposals can be swiftly drafted, which means very practical support for decision making process and public participation.

Molecular Docking Studies of Wolbachia Endosymbiont of Brugia Malayi's Carbonic Anhydrase Using Coumarin-chromene Derivatives Towards Designing Anti-filarial Agents

  • Malathy, P.;Jagadeesan, G.;Gunasekaran, K.;Aravindhan, S.
    • Journal of Integrative Natural Science
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    • v.9 no.4
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    • pp.268-274
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    • 2016
  • Filariasis causing nematode Brugia malayi is shown to harbor wolbachia bacteria as symbionts. The sequenced genome of the wolbachia endosymbiont from B.malayi (wBm) offers an unprecedented opportunity to identify new wolbachia drug targets. Hence the enzyme carbonic anhydrase from wolbachia endosymbiont of Brugia malayi (wBm) which is responsible for the reversible interconversion of carbon dioxide and water to bicarbonate and protons (or vice versa) is chosen as the drug target for filariasis. This enzyme is thought to play critical functions in bacteria by involving in various steps of their life cycle which are important for survival, The 3D structure of wBm carbonic anhydrase is predicted by selecting a suitable template using the similarity search tool, BLAST. The BLAST results shows a hexapeptide transferase family protein from Anaplasma phagocytophilum (PDB ID: 3IXC) having 77% similarity and 54% identity with wBm carbonic anhydrase. Hence the above enzyme is chosen as the template and the 3D structure of carbonic anhydrase is predicted by the tool Modeller9v7. Since the three dimensional structure of carbonic anhydrase from wolbachia endosymbiont of Brugia malayi has not yet solved, attempts were made to predict this protein. The predicted structure is validated and also molecular docking studies are carried out with the suitable inhibitors that have been solved experimentally.

Implementation of Modeller and Simulator for Fish Farming Environmental Information using Petri-Net (페트리넷을 이용한 어류양식 환경 정보 모델러 및 시뮬레이터 구현)

  • Ceong, Hee-Taek;Cho, Hyug-Hyun
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.16 no.3
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    • pp.626-634
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    • 2012
  • It is required that system can seamlessly identify and manage change history and comprehensive assessment of several types of data as well as individual information of feeding and water environment for scientific and systematic management of fish farming environment and fish farmer. In this study, we implemented the system which can present and simulate current status of water quality and feeding based on th historical data of them, and check changes of state step by step using visual C++. In addition, we proposed the entropy model which can be comprehensive analysis about water quality and feed status information based on knowledge of fisheries. It can be the foundation to create high-level environment model reflecting the more diverse fisheries knowledge such as disease.

Understanding Rifampicin Resistance in Tuberculosis through a Computational Approach

  • Kumar, Satish;Jena, Lingaraja
    • Genomics & Informatics
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    • v.12 no.4
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    • pp.276-282
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    • 2014
  • The disease tuberculosis, caused by Mycobacterium tuberculosis (MTB), remains a major cause of morbidity and mortality in developing countries. The evolution of drug-resistant tuberculosis causes a foremost threat to global health. Most drug-resistant MTB clinical strains are showing resistance to isoniazid and rifampicin (RIF), the frontline anti-tuberculosis drugs. Mutation in rpoB, the beta subunit of DNA-directed RNA polymerase of MTB, is reported to be a major cause of RIF resistance. Amongst mutations in the well-defined 81-base-pair central region of the rpoB gene, mutation at codon 450 (S450L) and 445 (H445Y) is mainly associated with RIF resistance. In this study, we modeled two resistant mutants of rpoB (S450L and H445Y) using Modeller9v10 and performed a docking analysis with RIF using AutoDock4.2 and compared the docking results of these mutants with the wild-type rpoB. The docking results revealed that RIF more effectively inhibited the wild-type rpoB with low binding energy than rpoB mutants. The rpoB mutants interacted with RIF with positive binding energy, revealing the incapableness of RIF inhibition and thus showing resistance. Subsequently, this was verified by molecular dynamics simulations. This in silico evidence may help us understand RIF resistance in rpoB mutant strains.