• 제목/요약/키워드: Molecular visualization

검색결과 74건 처리시간 0.026초

An Easy-to-Use Three-Dimensional Molecular Visualization and Analysis Program: POSMOL

  • Lee, Sang-Joo;Chung, Hae-Yong;Kim, Kwang S.
    • Bulletin of the Korean Chemical Society
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    • 제25권7호
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    • pp.1061-1064
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    • 2004
  • Molecular visualization software has the common objective of manipulation and interpretation of data from numerical simulations. They visualize many complicated molecular structures with personal computer and workstation, to help analyze a large quantity of data produced by various computational methods. However, users are often discouraged from using these tools for visualization and analysis due to the difficult and complicated user interface. In this regard, we have developed an easy-to-use three-dimensional molecular visualization and analysis program named POSMOL. This has been developed on the Microsoft Windows platform for the easy and convenient user environment, as a compact program which reads outputs from various computational chemistry software without editing or changing data. The program animates vibration modes which are needed for locating minima and transition states in computational chemistry, draws two and three dimensional (2D and 3D) views of molecular orbitals (including their atomic orbital components and these partial sums) together with molecular systems, measures various geometrical parameters, and edits molecules and molecular structures.

몰입형 분자구조 교육 시스템 (Teaching Molecular Geometry with Immersion)

  • 전석희;김정현
    • 한국HCI학회:학술대회논문집
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    • 한국HCI학회 2007년도 학술대회 1부
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    • pp.32-37
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    • 2007
  • 기존의 CAVE 를 이용한 분자구조 visualization 혹은 교육 시스템에서는 CAVE 시스템의 특징을 반영하지 않은 desktop 방식의 상호작용(interaction) 방법과 조망(viewing) 방법을 제공했다. 이러한 기존의 방법들은 CAVE 시스템의 장점을 충분히 이용하지 못한 것이다. 우리는 사용자에게 CAVE 시스템의 장점을 잘 살릴 수 있는 일인칭 시점의 조망을 제공하는 분자구조 교육 시스템을 개발함으로써 사용자에게 좀더 교육적으로나 경험적으로 효과가 큰 분자구조 교육 시스템을 제안한다. 또한 간단한 실험을 통해서 우리가 제안한 시스템의 효과를 알아보았다.

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TRAPR: R Package for Statistical Analysis and Visualization of RNA-Seq Data

  • Lim, Jae Hyun;Lee, Soo Youn;Kim, Ju Han
    • Genomics & Informatics
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    • 제15권1호
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    • pp.51-53
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    • 2017
  • High-throughput transcriptome sequencing, also known as RNA sequencing (RNA-Seq), is a standard technology for measuring gene expression with unprecedented accuracy. Numerous bioconductor packages have been developed for the statistical analysis of RNA-Seq data. However, these tools focus on specific aspects of the data analysis pipeline, and are difficult to appropriately integrate with one another due to their disparate data structures and processing methods. They also lack visualization methods to confirm the integrity of the data and the process. In this paper, we propose an R-based RNA-Seq analysis pipeline called TRAPR, an integrated tool that facilitates the statistical analysis and visualization of RNA-Seq expression data. TRAPR provides various functions for data management, the filtering of low-quality data, normalization, transformation, statistical analysis, data visualization, and result visualization that allow researchers to build customized analysis pipelines.

Prospect of plant molecular cytogenetics in the 21st century

  • Mukai, Yasuhiko
    • 한국생명과학회:학술대회논문집
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    • 한국생명과학회 2003년도 제40회 국제학술심포지움
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    • pp.14-27
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    • 2003
  • The genomes of Arabidopsis and rice have been fully sequenced. Genomic sequencing provides global information about genome structure and organization. A comprehensive research account of our recent studies conducted on genome painting, comparative genomics and genome fusion is provided in order to project the prospects of plant cytogenetic research in post-genomics era. Genome analysis by GISH using genome painting is demonstrated as an excellent means suitable for visualization of a whole genome, since total genomic DNA representing the overall molecular composition of the genome is used as a probe. FISH on extended DNA fibers has been developed for high-resolution FISH and has contributed to determining the copy number and order of genes. We have also mapped a number of genes involving starch synthesis on wheat chromosomes by FISH and compared the position of these genes on linkage map of rice. Macro synteny between wheat and rice can be observed by comparing the location of these genes in spite of the fact that the size of DNA per chromosome differs by 20 fold in two. Moreover, to approach our goal towards making bread and udon noodles from rice flour in future by incorporating bread making and the noodle qualifies in rice, we have been successful in introducing large genomic DNA fragments containing agronomically important genes of wheat into a rice by successive introduction of large insert BAC clones, there by expanding genetic variability in rice. We call this method genome fusion.

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분자핵의학영상 개관 (General Perspectives for Molecular Nuclear Imaging)

  • 정준기
    • 대한핵의학회지
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    • 제38권2호
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    • pp.111-114
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    • 2004
  • Molecular imaging provides a visualization of normal as well as abnormal cellular processes at a molecular or genetic level rather than at a anatomical level. Conventional medical imaging methods utilize the imaging signals produced by nonspecific physico-chemical interaction. However, molecular imaging methods utilize the imaging signals derived from specific cellular or molecular events. Because molecular and genetic changes precede anatomical change in the course of disease development, molecular imaging can detect early events in disease progression. in the near future, through molecular imaging we can understand basic mechanisms of disease, and diagnose earlier and, subsequently, treat earlier intractable diseases such as cancer, neuro-degenerative diseases, and immunologic disorders. In beginning period, nuclear medicine started as a molecular imaging, and has had a leading role in the field of molecular imaging. But recently molecular imaging has been rapidly developed. Besides nuclear imaging, molecular imaging methods such as optical imaging, magnetic resonance imaging are emerging. Each imaging modalities have their advantages and weaknesses. The opportunities from molecular imaging look bright. We should try nuclear medicine continues to have a leading role in molecular imaging.

형광 나노입자를 수용하는 마이크로캡슐의 제작 및 수용 가시화 (Fabrication of Microcapsules Encapsulating Fluorescent Nanoparticles and Visualization of Their Inclusion)

  • 김은영;김형훈;고정상
    • 한국가시화정보학회지
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    • 제9권2호
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    • pp.16-20
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    • 2011
  • This paper presents a fabrication method of microcapsules encapsulating fluorescent nanoparticles sensitive to an organic liquid, which is potentially applicable to the encapsulation of protein, cell and drug. It uses the supra-molecular self-assembly of a block copolymer at the interface of the stable and controllable droplets of water suspended with fluorescent nanoparticles and the polymer solved organic. The size and uniformity of the microcapsules were examined for the various polymer concentrations by using SEM image analysis. The maximum standard deviation of the produced microcapsules of less than 3.5% was obtained from the microcapsules produced from the same conditions. The inclusion of fluorescent nanoparticles was visualized in the fluorescence microscope and by using TEM image. It is shown that this fabrication method can provide the uniform size microcapsules with a higher inclusion.

분자 구조에 대한 고등학생들의 개념 이해도와 인지 변인의 관계 (The Relationships among High School Students' Conceptual Understanding of Molecular Structure and Cognitive Variables)

  • 노태희;서인호;차정호;김창민;강석진
    • 한국과학교육학회지
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    • 제21권3호
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    • pp.497-505
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    • 2001
  • 본 연구에서는 고등학생 165명을 대상으로 학생들의 분자 구조에 대한 개념 이해도와 인지 변인들 사이의 관계를 조사하였다. 학생들이 두 학기 동안 '고등학교 화학 II 과목을 학습한 후, 분자 구조에 대한 개념, 공간 지각 능력, 논리적 사고력, 기억 용량, 학습 접근 방식 검사를 실시하였다. 연구 결과, 분자 구조 개념에 대한 학생들의 이해는 불완전하였으며, 몇 가지 오개념이 발견되었다. 개념 검사 점수는 모든 인지 변인 검사 점수들과 유의미한 상관이 있었다. 개념 이해에 대한 인지 변인들의 예언력을 조사하기 위해 중다 회귀 분석을 실시하였다. 유의미 학습 접근 방식이 가장 큰 예언력을 나타내었고, 논리적 사고력, 기계적 학습 접근 방식, 기억 용량의 순으로 예언력이 컸다. 그러나 공간 지각 능력은 예언력이 없었다.

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First Year Undergraduate Students' Difficulties with Ball-and-stick Molecular Models

  • Chue, Shien;Kim, Chwee;Tan, Daniel
    • 한국과학교육학회지
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    • 제27권6호
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    • pp.477-487
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    • 2007
  • Previous studies show that students have difficulties in understanding and using molecular visualization tools. This study focuses on the ways in which first year chemistry undergraduates use ball-and-stick molecular models to explain the concept of addition reaction and the difficulties that they face using the models. Video recordings of interviews with undergraduates manipulating ball-and-stick models to solve problems related to reaction mechanisms are analysed to determine if they are able to elucidate their understanding with use of models. The results showed that students have difficulties with viewing the ball-and-stick models from the proper perspective and understanding the relationship between the various structures that they have created using the models. They also find the use of ball-and-stick models tedious and prefer drawing molecular structures on paper to explain their ideas. Implications for the teaching using ball-and-stick molecular models are discussed.