• 제목/요약/키워드: Secondary structure identification

검색결과 34건 처리시간 0.031초

SABA (secondary structure assignment program based on only alpha carbons): a novel pseudo center geometrical criterion for accurate assignment of protein secondary structures

  • Park, Sang-Youn;Yoo, Min-Jae;Shin, Jae-Min;Cho, Kwang-Hwi
    • BMB Reports
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    • 제44권2호
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    • pp.118-122
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    • 2011
  • Most widely used secondary structure assignment methods such as DSSP identify structural elements based on N-H and C=O hydrogen bonding patterns from X-ray or NMR-determined coordinates. Secondary structure assignment algorithms using limited $C{\alpha}$ information have been under development as well, but their accuracy is only ~80% compared to DSSP. We have hereby developed SABA (Secondary Structure Assignment Program Based on only Alpha Carbons) with ~90% accuracy. SABA defines a novel geometrical parameter, termed a pseudo center, which is the midpoint of two continuous $C{\alpha}s$. SABA is capable of identifying $\alpha$-helices, $3_{10}$-helices, and $\beta$-strands with high accuracy by using cut-off criteria on distances and dihedral angles between two or more pseudo centers. In addition to assigning secondary structures to $C{\alpha}$-only structures, algorithms using limited $C{\alpha}$ information with high accuracy have the potential to enhance the speed of calculations for high capacity structure comparison.

다중 지지된 주-부 구조물의 자유진동 (Free vibration of primary-secondary structures with multiple connections)

  • 민경원
    • 한국전산구조공학회:학술대회논문집
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    • 한국전산구조공학회 1991년도 가을 학술발표회 논문집
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    • pp.63-68
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    • 1991
  • The frequency window method has been extended to include strong coupling and multiple connections between the primary structure and the secondary structures. The rational polynomial expansion of the eigenvalue problem and the analytical methods for its solution are novel and distinguish this work from other eigenvalue analysis methods. The key results are the identification of parameters which quantify the resonance and coupling characteristics; the derivation of analytical dosed-form expressions describing the fundamental modal properties of the frequency windows; and the development of an iterative procedure which yields accurate convergent results for strongly-coupled primary-secondary structures.

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다중 지지된 주-부 구조물의 자유 진동 (Free Vibration of Primary-Secondary Structures with Multiple Connections)

  • 민경원
    • 전산구조공학
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    • 제4권4호
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    • pp.97-106
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    • 1991
  • 주-부 구조물의 진동 특성을 파악하기 위한 새로운 방법인 frequency window method를 다중 지지되고 구조물간의 커플링이 강한 주-부 구조물을 해석하였다. 다항식의 합으로 표현된 특성 방정식과 이 식의 해는 기존의 고유치 해석 방법의 결과와는 다른 새로운 것으로 frequency window method의 주된 장점으로는 공진과 커플링 현상을 정량적으로 파악할 수 있는 피라미터의 정의, 전체 주-부 구조물의 모드특성을 나타내는 해석적인 식과 반복 기법의 도입으로 인한 해석 결과의 정확성등이 있다.

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Combinatorial Library and Chemogenomics Approach: Discovery of Protein Secondary Structure Mimetic Small Molecule Inhibitors of Tryptase and Ref-l for Asthma

  • Moon, Sung-Hwan
    • 대한약학회:학술대회논문집
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    • 대한약학회 2003년도 Proceedings of the Convention of the Pharmaceutical Society of Korea Vol.2-1
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    • pp.92-92
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    • 2003
  • The drug discovery landscape is changing rapidly in the post-genomic era. Mapping of the human genome has led to an abundance of potential drug targets. Drug discovery times and costs can be significantly reduced by developing methods for high throughput target identification/ validation, multiplexed assay development and high efficient combinatorial chemistry. (omitted)

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m-Phenylene-Linked Bis-(Biradicals). Generation, Characterization and Computational Studies

  • Nicolaides, Athanassios;Tomioka, Hideo
    • Journal of Photoscience
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    • 제10권1호
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    • pp.165-173
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    • 2003
  • m-Phenylene-linked biscarbenes, bisnitrenes and carbenonitrenes can be formed photochemically from appropriate nitrogenous precursors. Generation of such reactive intermediates under matrix-isolation conditions allows for their characterization by spectroscopic techniques such as ESR, UV /vis and IR. The latter method is also useful in characterizing secondary products derived from these reactive intermediates. Computational chemistry methods complement experimental IR data, aiding, thus, in identification of such compounds. In addition electronic structure calculations help in developing qualitative and semi-quantitative models, which can be useful in predicting ground-state multiplicities. The parent systems of m-phenylene-linked carbenes and nitrenes have high-spin ground states, but a switching to lower multiplicity can be achieved by chemical substitution. The ground state and various low-lying excited states of m-phenylenecarbenonitrenes can be reasonably approximated by simple valence-bond depictions. Finally, m-phenylenecarbenonitrenes are photoreactive in the inert matrix isomerizing to cyclopropene derivatives.

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출토고목재의 수종과 조직구조에 관한 연구( II ) -출토고목재의 부후형태- (Species identification and microscopic structure of ancient wood excavated from the remains( II ) -Degradation of ancient woods-)

  • 강애경;박상진
    • 보존과학회지
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    • 제2권2호
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    • pp.15-24
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    • 1993
  • To understand the morphological change of ancient woods, samples classified by cell type, burial environment and species were collected and observed using microscopy. Decay of wood by cell type could classified into two types. First, degraded secondary wall was formed granular residues in $S_2$ layer and was remained $S_3$ layer and compound middle lamella. Second, the cell wall was slightly degraded and cracked in secondary wall. A gradual thinning of cell wall was occured. The compound middle lamella was separated from secondary wall. The resistance of degradation is increased at vessels, parenchyma, and tracheid and wood fiber in the order named. The type of degradation by species could be classified into four types. Overall degradation type; the degradation of cell wall is usually heavy and the extent of degradation Varies by part of the same sample. Partial degradation type ; this type shows severely different decay type by part of the sample. Nondegraded cells were mixed with degraded cells on the same sample. Erose degradation type ; thinning of the cell wall was occoured and the degradation type was different by part. Slight degradation types ; secondary wall was slightly degraded, cracked and separated from compound middle lamella. Considering different type of burial environment, dry wood was similiar to sound wood and slightly decayed. Waterlogged and peat burial wood was heavilydecayed. Between species of under the same environment, decay type and extent were diferentiated from each other.

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Taxonomy and phylogeny of the genus Cryptomonas (Cryptophyceae, Cryptophyta) from Korea

  • Choi, Bomi;Son, Misun;Kim, Jong Im;Shin, Woongghi
    • ALGAE
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    • 제28권4호
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    • pp.307-330
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    • 2013
  • The genus Cryptomonas is easily recognized by having two flagella, green brownish color, and a swaying behavior. They have relatively simple morphology, and limited diagnostic characters, which present a major difficulty in differentiating between species of the genus. To understand species delineation and phylogenetic relationships among Cryptomonas species, the nuclear-encoded internal transcribed spacer 2 (ITS2), partial large subunit (LSU) and small subunit ribosomal DNA (rDNA), and chloroplast-encoded psbA and LSU rDNA sequences were determined and used for phylogenetic analyses, using Bayesian and maximum likelihood methods. In addition, nuclear-encoded ITS2 sequences were predicted to secondary structures, and were used to determine nine species and four unidentified species from 47 strains. Sequences of helix I, II, and IIIb in ITS2 secondary structure were very useful for the identification of Cryptomonas species. However, the helix IV was the most variable region across species in alignment. The phylogenetic tree showed that fourteen species were monophyletic. However, some strains of C. obovata had chloroplasts with pyrenoid while others were without pyrenoid, which used as a key character in few species. Therefore, classification systems depending solely on morphological characters are inadequate, and require the use of molecular data.

Development of Micro-Blast Type Scabbling Technology for Contaminated Concrete Structure in Nuclear Power Plant Decommissioning

  • Lee, Kyungho;Chung, Sewon;Park, Kihyun;Park, SeongHee
    • 방사성폐기물학회지
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    • 제20권1호
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    • pp.99-110
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    • 2022
  • In decommissioning a nuclear power plant, numerous concrete structures need to be demolished and decontaminated. Although concrete decontamination technologies have been developed globally, concrete cutting remains problematic due to the secondary waste production and dispersion risk from concrete scabbling. To minimize workers' radiation exposure and secondary waste in dismantling and decontaminating concrete structures, the following conceptual designs were developed. A micro-blast type scabbling technology using explosive materials and a multi-dimensional contamination measurement and artificial intelligence (AI) mapping technology capable of identifying the contamination status of concrete surfaces. Trials revealed that this technology has several merits, including nuclide identification of more than 5 nuclides, radioactivity measurement capability of 0.1-107 Bq·g-1, 1.5 kg robot weight for easy handling, 10 cm robot self-running capability, 100% detonator performance, decontamination factor (DF) of 100 and 8,000 cm2·hr-1 decontamination speed, better than that of TWI (7,500 cm2·hr-1). Hence, the micro-blast type scabbling technology is a suitable method for concrete decontamination. As the Korean explosives industry is well developed and robot and mapping systems are supported by government research and development, this scabbling technology can efficiently aid the Korean decommissioning industry.

A highly efficient computational discrimination among Streptococcal species of periodontitis patients using 16S rRNA amplicons

  • Al-Dabbagh, Nebras N.;Hashim, Hayder O.;Al-Shuhaib, Mohammed Baqur S.
    • 미생물학회지
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    • 제55권1호
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    • pp.1-8
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    • 2019
  • Due to the major role played by several species of Streptococcus in the etiology of periodontitis, it is important to assess the pattern of Streptococcus pathogenic pathways within the infected subgingival pockets using a bacterial specific 16S rRNA fragment. From the total of 50 patients with periodontitis included in the study, only 23 Streptococcal isolates were considered for further analyses, in which their 16S rRNA fragments were amplified and sequenced. Then, a comprehensive phylogenetic tree was constructed and in silico prediction was performed for the observed Streptococcal species. The phylogenetic analysis of the subgingival Streptococcal species revealed a high discrimination power of the 16S rRNA fragment to accurately identify three groups of Streptococcus on the species level, including S. salivarius (14 isolates), S. anginosus (5 isolates), and S. gordonii (4 isolates). The employment of state-of-art in silico tools indicated that each Streptococcal species group was characterized with particular transcription factors that bound exclusively with a different 16S rRNA-based secondary structure. In conclusion, the observed data of the present study provided in-depth insights into the mechanism of each Streptococcal species in its pathogenesis, which differ in each observed group, according to the differences in the 16S rRNA secondary structure it takes, and the consequent binding with its corresponding transcription factors. This study paves the way for further interventions of the in silico prediction, with the main conventional in vitro microbiota identification to present an interesting insight in terms of the gene expression pattern and the signaling pathway that each pathogenic species follows in the infected subgingival site.

개선 된 구조를 갖는 능동 레이더 반사기 개발에 관한 연구 (A Study on the Development of the Active Radar Reflector with Enhanced Structure)

  • 정종혁;강상욱;조영창;최병진;윤정오;홍영호
    • 한국산업정보학회:학술대회논문집
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    • 한국산업정보학회 2000년도 춘계학술대회논문집
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    • pp.59-64
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    • 2000
  • 능동 레이더 반사기는 지금까지는 특히 비행물체와 미사일의 레이더 유효 반사 면적을 효과적으로 증가시키기 위한 군사적 응용에만 사용이 제한되어져 왔기 때문에 그다지 친숙한 용어는 아니다. 레이더 트랜스폰더의 가장 잘 알려진 응용은 군용의 피아 식별 장치 (IFF ; Identification Friend or Foe)와 이것의 민간 항공부문이고, 항공 교통 관제(An , hir Traffic Control)를 위한 2차 감시 레이더(SSR : Second Surveillance Radar), 그리고 보다 최근에는 전 세계 해상 조난 및 안전 제도(GMDSS ; Global Maritime Distress and Safety System)의 수색 구조용 트랜스폰더(SART ; Search And Rescue Transponder)등이 있다. 최근 연안이나 대양에서의 해난사고가 빈번히 발생되고 있으므로, 이로 인한 해양오염이 심각한 실정이다. 이제는 전통적인 항해표지 및 시설로써 해상교통의 안전을 유지하기에는 충분치 못하며, 새로운 개념과 구조가 적용되어야만 한다. 따라서 본 연구에서는 개선된 구조를 가진 능동 레이더 반사기를 제안하고 제작하였다. 제작된 시스템은 기존의 시설에 비해 높은 성능 향상을 보인다.

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