• 제목/요약/키워드: secondary structure modeling.

검색결과 56건 처리시간 0.314초

Parmeter Optimization for Calculation of Proton Chemical Shift in Protein

  • Park, Kyunglae;Wil
    • 한국자기공명학회논문지
    • /
    • 제1권2호
    • /
    • pp.71-78
    • /
    • 1997
  • The magnetic anisotropy effects of peptide group in structured protein on proton chemical shift have been investigated using trialanine modeling. The structure dependent part of chemical shift of C${\alpha}$H of the second amino acid residue was assumed to come purely from the magnetic anisotropy effects of C=O and C-N bonds of peptide in the direct neighborhood and thus to be dependent on and $\psi$ angle of this dipeptide. A set of dipeptide models with different and $\psi$angles were generated and from these models the chemical shift values were calculated using known algorithm to emphasize the role of parameters used in the equation. Comparison of sets of different parameters resulted in an optimized parameters which could reproduce the statistical chemical shift values observed in proteins with respect ot the secondary conformation.

  • PDF

반송용 SLIM의 추력제에에 의한 운전특성 (A Operating by the Direct Thrust Control of SLIM in Conveyor System)

  • 우정인;노태균;신동률;노인배
    • 조명전기설비학회논문지
    • /
    • 제12권3호
    • /
    • pp.59-66
    • /
    • 1998
  • In this paper, the thrust control of PWM Inverter-Fed SLIM(Single-sided Linear Induction Motor) is achieved with Space Vector control and PI control. The trembling of air gap length which is occurred between the primary winding core and the secondary structure of the SLIM must be minimized in order to get quick response characteristics. First, the equivalent circuits and voltage equations of SLIM are shown on th suitable d-q axis which analyze characteristics of the thrust and the normal force. Also, modeling and analysis of the equivalent circuits transferred d-q axis are able to make robust transient torque from the current regulation in the equivalent circuit. These results exemplified the direct drive of SLIM with the reference speed and torque were verified by experiments.

  • PDF

Experimental Analysis and Numerical Modeling Using LISA-DDB Hybrid Breakup Model of Direct Injected Gasoline Spray

  • Park, Sung-Wook;Kim, Hyung-Jun;Lee, Chang-Sik
    • Journal of Mechanical Science and Technology
    • /
    • 제17권11호
    • /
    • pp.1812-1819
    • /
    • 2003
  • This paper presents the effect of injection pressure on the atomization characteristics of high-pressure injector in a direct injection gasoline engine both experimentally and numerically. The atomization characteristics such as mean droplet size, mean velocity, and velocity distribution were measured by phase Doppler particle analyzer. The spray development, spray penetration, and global spray structure were visualized using a laser sheet method. In order to investigate the atomization process in more detail, the calculations with the LISA-DDB hybrid model were performed. The results provide the effect of injection pressure on the macroscopic and microscopic behaviors such as spray development, spray penetration, mean droplet size, and mean velocity distribution. It is revealed that the accuracy of prediction is promoted by using the LISA-DDB hybrid breakup model, comparing to the original LISA model or TAB model alone. And the characteristics of the primary and secondary breakups have been investigated by numerical approach.

PRT 시스템에 적합한 유도 전력 집전 장치의 모델링 (Modeling of inductive power collector for PRT system)

  • 한경희;이병송
    • 한국철도학회:학술대회논문집
    • /
    • 한국철도학회 2005년도 춘계학술대회 논문집
    • /
    • pp.794-799
    • /
    • 2005
  • In this paper, the inductive power collector using electromagnetic induction for the PRT(Personal Rapid Transit) system is suggested and some ideas for power collector design to improve the power transfer performance are presented. The proposed the inductive power collector is used for the PRT system, which has a large air-gap and demands a large electrical power capability. But, low output power is generated due to a loosely coupled characteristic of the large air-gap. Therefore, double layer construction of secondary winding. which was divided in half to increase both output current and output voltage was suggested. Also, model of power collector and parallel winding structure are presented, in addition, the performance of inductive power collector to alignment condition between the primary power line and the inductive power transformer was verified by computer simulation of 2kW model.

  • PDF

소형궤도차량 시스템에 적합한 유도전력 집전 장치의 모델링 (The Modeling of inductive power collector for light railway system)

  • 한경희;이병송;백수현
    • 대한전기학회:학술대회논문집
    • /
    • 대한전기학회 2005년도 춘계학술대회 논문집 전기기기 및 에너지변환시스템부문
    • /
    • pp.215-217
    • /
    • 2005
  • In this paper, the inductive power collector using electromagnetic induction for the PRT{Personal Rapid Transit) system is suggested and some ideas for power collector design to improve the power transfer performance are presented. The proposed the inductive power collector is used for the PRT system, which has a large air-gap and demands a large electrical power capability. But, low output power is generated due to a loosely coupled characteristic of the large air-gap. Therefore, double layer construction of secondary winding, which was divided in half to increase both output current and output voltage was suggested. Also, model of power collector and parallel winding structure are presented, in addition, the performance of inductive power collector to alignment condition between the primary power line and the inductive power transformer was verified by computer simulation of 2kW model.

  • PDF

Molecular Characterization of Legionellosis Drug Target Candidate Enzyme Phosphoglucosamine Mutase from Legionella pneumophila (strain Paris): An In Silico Approach

  • Hasan, Md. Anayet;Mazumder, Md. Habibul Hasan;Khan, Md. Arif;Hossain, Mohammad Uzzal;Chowdhury, A.S.M. Homaun Kabir
    • Genomics & Informatics
    • /
    • 제12권4호
    • /
    • pp.268-275
    • /
    • 2014
  • The harshness of legionellosis differs from mild Pontiac fever to potentially fatal Legionnaire's disease. The increasing development of drug resistance against legionellosis has led to explore new novel drug targets. It has been found that phosphoglucosamine mutase, phosphomannomutase, and phosphoglyceromutase enzymes can be used as the most probable therapeutic drug targets through extensive data mining. Phosphoglucosamine mutase is involved in amino sugar and nucleotide sugar metabolism. The purpose of this study was to predict the potential target of that specific drug. For this, the 3D structure of phosphoglucosamine mutase of Legionella pneumophila (strain Paris) was determined by means of homology modeling through Phyre2 and refined by ModRefiner. Then, the designed model was evaluated with a structure validation program, for instance, PROCHECK, ERRAT, Verify3D, and QMEAN, for further structural analysis. Secondary structural features were determined through self-optimized prediction method with alignment (SOPMA) and interacting networks by STRING. Consequently, we performed molecular docking studies. The analytical result of PROCHECK showed that 95.0% of the residues are in the most favored region, 4.50% are in the additional allowed region and 0.50% are in the generously allowed region of the Ramachandran plot. Verify3D graph value indicates a score of 0.71 and 89.791, 1.11 for ERRAT and QMEAN respectively. Arg419, Thr414, Ser412, and Thr9 were found to dock the substrate for the most favorable binding of S-mercaptocysteine. However, these findings from this current study will pave the way for further extensive investigation of this enzyme in wet lab experiments and in that way assist drug design against legionellosis.

프로판 엔진의 배기 포트에서 탄화수소 산화율 추정 (Estimation of Hydrocarbon Oxidation by Measuring He Concentrations in an SI Engine Exhaust Port)

  • 이형승;박종범;민경덕;김응서
    • 대한기계학회논문집B
    • /
    • 제24권5호
    • /
    • pp.660-667
    • /
    • 2000
  • In order to investigate the exhaust structure and secondary oxidation of unburned hydrocarbon (HC) in the exhaust port, concentrations of individual HC species were measured in exhaust process, the degree of oxidation were obtained. Using a solenoid-driven fast sampling system on single-cylinder research engine fueled with 94% propane, the profiles of unburned hydrocarbons (HCs) and non-fuel HCs with a propane fueled engine were obtained from several locations in the exhaust port during the exhaust process. The sampled gases were analyzed using a gas chromatography of HC species with 4 or lesser carbon atoms. The change of total HC concentration and HC fractions of major components through the exhaust port were discussed. The results showed that non-uniform distribution of HC concentration existed around the exhaust valve and changed with time, and that the exhaust gas exhibited nearly uniform concentration profile at port exit, which was due to mixing and oxidation. Also it could be known that bulk gas with relatively high HC concentration came out through the bottom of the exhaust valve. To estimate the mass-based degree of HC oxidation in the exhaust port from measured HC concentrations, a 3-zone diagnostic cycle simulation and plug flow modeling were used. The degree of oxidation ranged between 26 % and 36 % corresponding to the engine operation conditions.

실측응력 및 시뮬레이션에 의한 트러스 철도교의 피로피해도 분석 (Analysis of the Degree of Fatigue Damage in Truss Railway Bridge by Actual Stress and Simulation)

  • 정영호;김익겸;김지훈;김은성
    • 산업기술연구
    • /
    • 제20권A호
    • /
    • pp.149-158
    • /
    • 2000
  • After measuring actual stress by two measurements(Dynamic Strain Meter, Histogram Recorder) on truss rail road bridge, we could perform time history analysis by 3-D beam element method on modelling bridge. And then, after analyzing bridge structure in static by 3-D modelling, we estimated degree of fatigue damage in main member, secondary member of tie zone, cutting area of base metal cross section for confirming the result. In case that the simulated stress is carried out on modeling bridge, most of those simulation mainly is performed by main members. But in real bridge fatigue damage problems generally caused by junctions, connections, joints in which especially local stress is activated. Therefore, in this paper actual stress on critical area was estimated through the analysis result by simulation. With this study, we can estimate the degree of fatigue damage from a safety point of view and comparative accuracy.

  • PDF

차량용 유도전력 집전 장치의 특성해석 (The Modeling of inductive power collector for vehicle)

  • 한경희;이병송;김도원;백수현
    • 대한전기학회:학술대회논문집
    • /
    • 대한전기학회 2005년도 제36회 하계학술대회 논문집 B
    • /
    • pp.1610-1612
    • /
    • 2005
  • In this paper, the inductive power collector using electromagnetic induction for vehicle such as the PRT(Personal Rapid Transit) system is suggested and some ideas for power collector design to improve the power transfer performance are presented. The proposed the inductive power collector is used for the PRT system, which has a large air-gap and demands a large electrical power capability. But, low output power is generated due to a loosely coupled characteristic of the large air-gap. Therefore, double layer construction of secondary winding, which was divided in half to increase both output current and output voltage was suggested. Also, a model of power collector and parallel winding structure and a model of concentration/decentralization winding are presented, in addition, the performance of inductive power collector to alignment condition between the primary power line and the inductive power transformer was verified by computer simulation of 2kW model.

  • PDF

구조적특성을 고려한 유한 덕트계의 FIR필터모델링에 의한 능동소음제어 (Active Noise Control in Finite Duct by the FIR Filter Modelling Considering the Stuructural Characteristics)

  • 이태원;송원식;오재응
    • 한국음향학회지
    • /
    • 제11권2호
    • /
    • pp.59-67
    • /
    • 1992
  • 기계구조물로부터 발생하는 소음을 부가적인 음을 발생하여 능동적으로 제어하는 문제는 오늘날 환경보전의 측면에서 중요한 여구과제가 되고 있다. 길이가 긴 무한덕트에 대한 능동소음제어에 대해 적응필터링 방법을 이용하여 많은 연구가 진행되고 있다. 반면 실제 기계구조물에 있어서 크기의 한계로 인해 덕트의 길이가 짧은 경우가 많으여 이 경우 덕트 내부의 반사나 공명과 같은 음향특성을 고려해 볼 필요가 있다. 본 논문에서는 길이가 짧은 덕트에 대해 전달매트릭스법을 이용하여 음향계의 모델링을 하고 이것으로부터 구한 제어계의 전달함수를 유한한 FIR필터로 구현하여 능동적으로 소음을 제어하는 문제를 검토하였다. 수치적계산에 의한 음향계 모델링방법으로써 최적한 FIR필터의 계수를 구하여 이를 제어계의 모델로 설정하는 방법을 제안하였으며 제어시 실제계에서 방생할 수 있는 음향계 내부의 공명과 제어계의 안정성 및 제어효과를 예측하는 방법을 제사하였다.

  • PDF