• Title/Summary/Keyword: Molecular visualization

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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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    • v.25 no.7
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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.

Teaching Molecular Geometry with Immersion (몰입형 분자구조 교육 시스템)

  • Jeon, Seok-Hee;Kim, Joung-Hyun Gerard
    • 한국HCI학회:학술대회논문집
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    • 2007.02a
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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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    • v.15 no.1
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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
    • Proceedings of the Korean Society of Life Science Conference
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    • 2003.10a
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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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General Perspectives for Molecular Nuclear Imaging (분자핵의학영상 개관)

  • Chung, June-Key
    • The Korean Journal of Nuclear Medicine
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    • v.38 no.2
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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.

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

  • Kim, Eun-Young;Kim, Hyoung-Hoon;Go, Jeung-Sang
    • Journal of the Korean Society of Visualization
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    • v.9 no.2
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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.

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

  • Noh, Tae-Hee;Seo, In-Ho;Cha, Jeong-Ho;Kim, Chang-Min;Kang, Suk-Jin
    • Journal of The Korean Association For Science Education
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    • v.21 no.3
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    • pp.497-505
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    • 2001
  • In this study, the relationships among students' conceptual understanding of molecular structure and cognitive variables were investigated for 165 high school students. After they had learned 'High School Chemistry II' for two semesters, the tests of conception concerning molecular structure, spatial visualization ability, logical thinking ability, mental capacity, and learning approach were administered. The results indicated that students' conceptual understanding of molecular structure was not sound, and several misconceptions were found. The scores of the conception test were significantly correlated with all the cognitive variables studied. Multiple regression analyses were conducted to examine the predictive influences of students' cognitive variables on their conceptual understanding. Meaningful learning approach was the most significant predictor and were followed by logical thinking ability, rote learning approach, and mental capacity. However, spatial visualization ability did not have the predictive power.

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

  • Chue, Shien;Kim, Chwee;Tan, Daniel
    • Journal of The Korean Association For Science Education
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    • v.27 no.6
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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.