• 제목/요약/키워드: PSI-BLAST

검색결과 11건 처리시간 0.029초

Kick Motor 시험장 충격파 전파 예측 (Prediction of the Blast Wave Propagation Over a Kick Motor Test Facility)

  • 옥호남;김인선
    • 한국전산유체공학회:학술대회논문집
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    • 한국전산유체공학회 2008년도 춘계학술대회논문집
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    • pp.220-223
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    • 2008
  • A test facility to measure the performance of a KM(Kick Motor) is constructed, and prediction of blast wave propagation over the facility is performed to check if the safety of test personnel in MCC(Main Control Center) can be guaranteed even for the most severe explosion. Assuming that the initial explosion energy is contained in a sphere under the pressure of 500, 1000, 1500 psi, respectively, the radius of the sphere is determined for each pressure to set the mass of contained explosion gas to 35 kg. The material properties of explosion gas are set to be the ones of KM propellant combustion gas under normal condition. To reduce the effort and time required for a complex three-dimensional modeling, the flowfield is approximated to axismmetry. Calculations are performed for all three initial pressure conditions, and the analysis of the result is given for 1500 psi which is expected to be the worst case. The maximum pressure is 3.5 psig while the minimum pressure is -1.2 psig on the outer wall of MCC, and the maximum pressure difference between the inner and outer walls of protection wall amounts to 3.0 psi.

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단백질 서열의 상동 관계를 가중 조합한 단백질 이차 구조 예측 (Prediction of Protein Secondary Structure Using the Weighted Combination of Homology Information of Protein Sequences)

  • 지상문
    • 한국정보통신학회논문지
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    • 제20권9호
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    • pp.1816-1821
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    • 2016
  • 단백질은 대부분의 생물학적 과정에서 중대한 역할을 수행하고 있으므로, 단백질 진화, 구조와 기능을 알아내기 위하여 많은 연구가 수행되고 있는데, 단백질의 이차 구조는 이러한 연구의 중요한 기본적 정보이다. 본 연구는 대규모 단백질 구조 자료로부터 단백질 이차 구조 정보를 효과적으로 추출하여 미지의 단백질 서열이 가지는 이차 구조를 예측하려 한다. 질의 서열과 상동관계에 있는 단백질 구조자료내의 서열들을 광범위하게 찾아내기 위하여, 탐색에 사용하는 프로파일의 구성에 질의 서열과 유사한 서열들을 사용하고 갭을 허용하여 반복적인 탐색이 가능한 PSI-BLAST를 사용하였다. 상동 단백질들의 이차구조는 질의 서열과의 상동 관계의 강도에 따라 가중되어 이차 구조 예측에 기여되었다. 이차 구조를 각각 세 개와 여덟 개로 분류하는 예측 실험에서 상동 서열들과 신경망을 동시에 사용하여 93.28%와 88.79%의 정확도를 얻어서 기존 방법보다 성능이 향상되었다.

단백질 이차 구조 예측을 위한 단백질 프로파일의 성능 비교 (A Performance Comparison of Protein Profiles for the Prediction of Protein Secondary Structures)

  • 지상문
    • 한국정보통신학회논문지
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    • 제22권1호
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    • pp.26-32
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    • 2018
  • 단백질의 이차구조는 단백질의 진화, 구조, 기능을 연구하는데 중요한 정보이다. 단백질 서열 정보만을 이용하여 단백질의 이차 구조를 예측하는 분야에 심층 학습 방법들이 최근 들어 활발히 적용되고 있다. 이러한 방법에서 널리 사용되는 입력은 단백질 서열을 변환하여 만들어진 단백질 프로파일이다. 본 논문에서는 효과적인 단백질 프로파일을 얻기 위하여 단백질 서열 탐색 방법으로 PSI-BLAST와 더불어서 HHblits를 사용하였다. 단백질 프로파일의 구성에 사용되는 상동 단백질 서열을 결정하기 위한 유사도 문턱치와 상동 단백질 서열 정보를 반복적으로 사용하는 회수를 조절하였다. 합성곱 신경망과 순환 신경망을 사용하여 단백질 이차구조를 예측하였는데, 진화적 정보를 한번만 추가하여 만들어진 단백질 프로파일이 효과적이었다.

폭압에 의한 방폭문의 구조적 안정성에 대한 연구 (A Study On Structural Stability Of Blast Door by Blast Pressure)

  • 김남혁;박관진;이근오
    • 한국안전학회지
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    • 제31권3호
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    • pp.8-15
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    • 2016
  • The purpose of this study is to design a model with the structural stability so as not to lose the operational function due to structural plastic or fail of a sliding blast door by blast pressure to this aim, a numerical simulation was performed using full-size experiments and M&S (Modeling & Simulation) of the sliding blast door. The sliding blast door ($W3,000{\times}H2,500mm$) under the blast load is in the form of a sliding type 2-way metal grill, which was applied by a design blast pressure (reflected pressure $P_r$) of 17 bar. According to the experimental results of a real sliding blast door under blast load, the blast pressure reached the sliding blast door approximately 4.3 ms after the explosion and lasted about 4.0 ms thereafter. The maximum blast pressure($P_r$) was 347.7 psi (2,397.3 kPa), it is similar to the UFC 3-340-02 of Parameter(91 %). In addition, operation inspection that was conducted for the sliding blast door after real test showed a problem of losing the door opening function, which was because of the fail of the Reversal Bolt that was installed to prevent the shock due to rebound of the blast door from the blast pressure. According to the reproduction of the experiment through M&S by applying the blast pressure measurement value of the full-size experiments, the sliding blast door showed a similar result to the full-size experiment in that the reversal bolt part failed to lose the function. In addition, as the pressure is concentrated on the failed reversal bolt, the Principal Tensile Failure Stress was exceeded in only 1.25 ms after the explosion, and the reversal bolt completely failed after 5.4 ms. Based on the result of the failed reversal bolt through the full-size experiment and M&S, the shape and size of the bolts were changed to re-design the M&S and re-analyze the sliding blast door. According to the M&S re-analysis result when the reversal bolt was designed in a square of 25 mm ($625mm^2$), the maximum pressure that the reversal bolt receives showed 81% of the principal tensile failure stress of the material, in plastic stage before fail.

3D 단백질 구조 데이터베이스 및 유사성 검색 시스템 구축 (Building of Protein 3-D Structure Database and Similarity Search System)

  • 이영화;박성희;류근호
    • 한국정보처리학회:학술대회논문집
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    • 한국정보처리학회 2002년도 춘계학술발표논문집 (상)
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    • pp.79-82
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    • 2002
  • 단백질 3차 구조 정보는 PDB에서 플랫화일 형태로 제공되고 있으며 이러한 플랫화일 각각의 엔트리들은 단백질 3차 분자 구조를 구성하는 원자들의 공간좌표정보, 서열정보, 실험정보 및 참조정보 등으로 구성된다. 이러한 정보들을 포함하고 있는 플랫파일로부터 필수적인 구조정보 및 서열정보 등의 효율적 검색을 위해서는 플랫파일을 데이터베이스로 구축함과 동시에, 구축된 데이터베이스를 위한 유사성 검색시스템 구축이 요구된다. 따라서, 이 논문에서는 Protein DataBank에서 제공하는 플랫파일을 공간객체 모델링기법에 기반한 관계형 데이터베이스로 구축하고 PSI-BLAST를 적용하여 단백질 서열 유사성 검색 시스템을 구축한다. 이렇게 함으로써 단백질 3자 구조 분자를 구성하는 원자에 대한 검색과 구조에 대한 서열 유사성 검색을 통하여 단백질 3차 구조 분류 및 구조 예측 시스템 구축에 활용할 수 있다.

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지하철역 공사지역 도시가스 배관 누출로 인한 피해면적 산정 (Estimating the Area of Damage Caused by Gas Pipeline Leakage in Subway Construction Zones)

  • 양용호;이재욱;공하성
    • 문화기술의 융합
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    • 제10권2호
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    • pp.419-427
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    • 2024
  • 지하철 공사장 인근에서 천공작업 중 부주의로 지하에 매설된 도시가스 배관에 구멍을 발생시켜 새어 나온 가스가 우수관 및 하수관을 통하여 지하 공사장 내부로 유입 정전기 등의 점화원과 접촉 폭발할 경우 피해 영향범위 및 위협구역을 ALOHA 프로그램에 적용 산정하였다. 도시가스 배관의 길이,직경 및 압력 등 다양한 조건을 입력하여 위협구역 산정결과 증기구름 가연성지역의 Red Zone는 1.2~1.4km, 폭발지역의 Yellow Zone는 0.8~1.0km 및 제트화재의 Red Zone는 45~61m로 나타났다. 이 연구에서는 증기구름의 가연성 지역에서 농도와 조건이 적절히 조합된 상태이면 가연성을 증가시키고, 폭발지역 내부에서는 유리창이 깨질 수 있는 압력인 1.0psi로 폭발이 일어날 수 있으며, 제트화재인 경우에는 높은 온도와 열복사가 발생 주위 건물 밀집지역으로 화재가 빠르게 확산할 뿐만 아니라 열복사 영향으로 많은 인명피해가 발생할 수 있음을 영향범위 및 위협구역 범위로 나타내었다.

Structural Assignment of a Type II PHA Synthase and an Insight Into Its Catalytic Mechanism Using Human Gastric Lipase as the Modeling Template

  • Khairudin, Nurul Bahiyah Ahmad;Samian, Mohd Razip;Najimudin, Nazalan;Wahab, Habibah A
    • 한국생물정보학회:학술대회논문집
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    • 한국생물정보시스템생물학회 2005년도 BIOINFO 2005
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    • pp.173-182
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    • 2005
  • A three dimensional (3D) model for the catalytic region of Type II Pseudomonas sp. USM 4-55 PHA synthase 1 (PhaC1$_{P.sp\;USM\;4-55}$) from residue 267 to residue 484 was developed. Sequence analysis demonstrated that PhaC1$_{P.sp\;USM\;4-55}$ lacked homology with all known structural databases. PSI-BLAST and HMM Superfamily analyses demonstrated that this enzyme belongs to the ${\alpha}/{\beta}$ hydrolase fold family. Threading approach revealed that the most suitable template to use was the Human gastric lipase (1HLG). The superimposition of the predicted PhaC1$_{P.sp\;USM\;4-55}$ model with the 1HLG template structure covering 86.2% of the backbone atoms showed an RMSD of 1.15 ${\AA}$ The catalytic residues comprising of Cys296, Asp451, His452 and His479 were found to be conserved and were located adjacent to each other. We proposed that the catalytic mechanism involved the formation of two tetrahedral intermediates.

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Reviving GOR method in protein secondary structure prediction: Effective usage of evolutionary information

  • Lee, Byung-Chul;Lee, Chang-Jun;Kim, Dong-Sup
    • 한국생물정보학회:학술대회논문집
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    • 한국생물정보시스템생물학회 2003년도 제2차 연례학술대회 발표논문집
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    • pp.133-138
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    • 2003
  • The prediction of protein secondary structure has been an important bioinformatics tool that is an essential component of the template-based protein tertiary structure prediction process. It has been known that the predicted secondary structure information improves both the fold recognition performance and the alignment accuracy. In this paper, we describe several novel ideas that may improve the prediction accuracy. The main idea is motivated by an observation that the protein's structural information, especially when it is combined with the evolutionary information, significantly improves the accuracy of the predicted tertiary structure. From the non-redundant set of protein structures, we derive the 'potential' parameters for the protein secondary structure prediction that contains the structural information of proteins, by following the procedure similar to the way to derive the directional information table of GOR method. Those potential parameters are combined with the frequency matrices obtained by running PSI-BLAST to construct the feature vectors that are used to train the support vector machines (SVM) to build the secondary structure classifiers. Moreover, the problem of huge model file size, which is one of the known shortcomings of SVM, is partially overcome by reducing the size of training data by filtering out the redundancy not only at the protein level but also at the feature vector level. A preliminary result measured by the average three-state prediction accuracy is encouraging.

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Computational Analysis of Apolipophorin-III in Hyphantria cunea

  • Chandrasekar R.;Dhanalakshmi R.;Krishnan M.;Kim H. J.;Jeong H. C.;Seo S. J.
    • International Journal of Industrial Entomology and Biomaterials
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    • 제10권1호
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    • pp.25-33
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    • 2005
  • Recently a cDNA clone of apoLp-III from Hyphantria cunea was isolated and subjected to computational analysis to compare with other available sequences. Multiple sequence alignments were carried out using the amino acid sequences of apoLp-III from six insects. It was found that the H. cunea apoLp-III has relatively high sequence identities to Spodoptera litura ($69.5\%$), Manduca sexta ($66.8\%$), Galleria mellonella ($65.1\%$), Bombyx mori N4 ($54.3\%$) but less identity to Locusta migratoria ($18.3\%$). The amino acid composition was compared with other insects using EXPASY tools; it shows that alanine (Ala), glutamine (Gln), leucine (Leu) and lysine (Lys) are the major amino acid components of apoLp-III in H. cunea as well as other lepidopterans. Homology modeling performed using PSI-BLAST (PDB template M. sexta) reveals that the apoLp-III molecules consist of five, long amphipathic alpha helical bundles with short loops connecting the helices and shows homology with other insects. Phylogenetic analysis shows that the orthopteran apoLp-III represented by locust was most distantly related to the lepidopteran insects.

Prediction of Protein Secondary Structure Content Using Amino Acid Composition and Evolutionary Information

  • Lee, So-Young;Lee, Byung-Chul;Kim, Dong-Sup
    • 한국생물정보학회:학술대회논문집
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    • 한국생물정보시스템생물학회 2004년도 The 3rd Annual Conference for The Korean Society for Bioinformatics Association of Asian Societies for Bioinformatics 2004 Symposium
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    • pp.244-249
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    • 2004
  • There have been many attempts to predict the secondary structure content of a protein from its primary sequence, which serves as the first step in a series of bioinformatics processes to gain knowledge of the structure and function of a protein. Most of them assumed that prediction relying on the information of the amino acid composition of a protein can be successful. Several approaches expanded the amount of information by including the pair amino acid composition of two adjacent residues. Recent methods achieved a remarkable improvement in prediction accuracy by using this expanded composition information. The overall average errors of two successful methods were 6.1% and 3.4%. This work was motivated by the observation that evolutionarily related proteins share the similar structure. After manipulating the values of the frequency matrix obtained by running PSI-BLAST, inputs of an artificial neural network were constructed by taking the ratio of the amino acid composition of the evolutionarily related proteins with a query protein to the background probability. Although we did not utilize the expanded composition information of amino acid pairs, we obtained the comparable accuracy, with the overall average error being 3.6%.

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