• Title/Summary/Keyword: molecular computer

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The Development of Herbal Medicine Network Analysis System

  • Ho Jang
    • Journal of the Korea Society of Computer and Information
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    • v.28 no.10
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    • pp.113-121
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    • 2023
  • Network pharmacology in traditional Korean and Chinese medicine studies the molecular and biological aspects of herbal medicine using computational methods. Despite variations in databases, techniques, and criteria, most studies follow similar steps: constructing herb-compound networks, compound-target networks, and target interpretation. To ensure efficient and consistent analysis in herbal medicine network pharmacology, we designed and implemented a common analysis pipeline. We showed its reliability with existing databases. The proposed system has a potential to facilitate network pharmacology analysis in traditional medicine, ensuring consistent analysis of various herbal medicines.

Relationships Between Student Cognitive . Affective Characteristics and Conceptual Understanding from Individual CAl for Science Learning (과학 학습을 위한 개별적인 CAI에서 학생들의 인지적.정의적 특성과 개념 이해도의 관계)

  • Noh, Tae-Hee;Kim, Kyung-Sun
    • Journal of The Korean Association For Science Education
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    • v.25 no.7
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    • pp.728-735
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    • 2005
  • In this study, relationships between student the cognitive affective characteristics and conceptual understanding from individual computer-assisted instruction were investigated. Tests regarding field dependence-independence, learning strategy, self-regulated ability, visual learning preference, goal orientation, self-efficacy on ability, and computer attitude were administered. After having been taught by means of a CAl program, a conception test on molecular motion was administered. It was found that student conceptual understanding was significantly related to field independence, learning strategy, self-regulated ability among the cognitive characteristics and visual learning preference, goal orientation, self-efficacy on ability among the affective characteristics. Multiple regression analysis of the cognitive characteristics on conceptual understanding found that field dependence-independence was the most significant predictor. Self-regulated ability and a deep learning strategy were also found to have predictive power. Lastly, analysis of the affective characteristics, visual learning preference and self-efficacy on ability exposed them to be significant predictors of student conceptual understanding.

The Influences of Computer-Assisted Instruction Emphasizing the Particulate Nature of Matter and Problem-Solving Strategy on High School Students' Learning in Chemistry (물질의 입자성과 문제 해결 전략을 강조한 컴퓨터 보조 수업이 고등학생들의 화학 학습에 미치는 효과)

  • Noh, Tae-Hee;Kim, Chang-Min;Cha, Jeong-Ho;Jeon, Kyung-Moon
    • Journal of The Korean Association For Science Education
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    • v.18 no.3
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    • pp.337-345
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    • 1998
  • This study examined the influences of computer-assisted instruction(CAl) upon high school students' conceptual understanding, algorithmic problem solving ability, learning motivation, and attitudes toward chemistry instruction. CAl programs were designed to supply animated molecular motions for emphasizing the particulate dynamic nature of matter and immediate feedbacks according to students' response types at each stage of four stage problem-solving strategy(understanding, planning, solving, and reviewing). The CAl and control groups (2 classes) were selected from a girls high school in Seoul, and taught about gas law for four class hours. Data analysis indicated that the students at the CAl group scored significantly higher than those at the control group in the tests on conceptual understanding and algorithmic problem solving ability. In addition, the students at the CAl group performed significantly better in the tests on the learning motivation and attitudes toward chemistry instruction.

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Systematical Analysis of Cutaneous Squamous Cell Carcinoma Network of microRNAs, Transcription Factors, and Target and Host Genes

  • Wang, Ning;Xu, Zhi-Wen;Wang, Kun-Hao
    • Asian Pacific Journal of Cancer Prevention
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    • v.15 no.23
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    • pp.10355-10361
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    • 2015
  • Background: MicroRNAs (miRNAs) are small non-coding RNA molecules found in multicellular eukaryotes which are implicated in development of cancer, including cutaneous squamous cell carcinoma (cSCC). Expression is controlled by transcription factors (TFs) that bind to specific DNA sequences, thereby controlling the flow (or transcription) of genetic information from DNA to messenger RNA. Interactions result in biological signal control networks. Materials and Methods: Molecular components involved in cSCC were here assembled at abnormally expressed, related and global levels. Networks at these three levels were constructed with corresponding biological factors in term of interactions between miRNAs and target genes, TFs and miRNAs, and host genes and miRNAs. Up/down regulation or mutation of the factors were considered in the context of the regulation and significant patterns were extracted. Results: Participants of the networks were evaluated based on their expression and regulation of other factors. Sub-networks with two core TFs, TP53 and EIF2C2, as the centers are identified. These share self-adapt feedback regulation in which a mutual restraint exists. Up or down regulation of certain genes and miRNAs are discussed. Some, for example the expression of MMP13, were in line with expectation while others, including FGFR3, need further investigation of their unexpected behavior. Conclusions: The present research suggests that dozens of components, miRNAs, TFs, target genes and host genes included, unite as networks through their regulation to function systematically in human cSCC. Networks built under the currently available sources provide critical signal controlling pathways and frequent patterns. Inappropriate controlling signal flow from abnormal expression of key TFs may push the system into an incontrollable situation and therefore contributes to cSCC development.

Mining and analysis of microsatellites in human coronavirus genomes using the in-house built Java pipeline

  • Umang, Umang;Bharti, Pawan Kumar;Husain, Akhtar
    • Genomics & Informatics
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    • v.20 no.3
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    • pp.35.1-35.9
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    • 2022
  • Microsatellites or simple sequence repeats are motifs of 1 to 6 nucleotides in length present in both coding and non-coding regions of DNA. These are found widely distributed in the whole genome of prokaryotes, eukaryotes, bacteria, and viruses and are used as molecular markers in studying DNA variations, gene regulation, genetic diversity and evolutionary studies, etc. However, in vitro microsatellite identification proves to be time-consuming and expensive. Therefore, the present research has been focused on using an in-house built java pipeline to identify, analyse, design primers and find related statistics of perfect and compound microsatellites in the seven complete genome sequences of coronavirus, including the genome of coronavirus disease 2019, where the host is Homo sapiens. Based on search criteria among seven genomic sequences, it was revealed that the total number of perfect simple sequence repeats (SSRs) found to be in the range of 76 to 118 and compound SSRs from 01 to10, thus reflecting the low conversion of perfect simple sequence to compound repeats. Furthermore, the incidence of SSRs was insignificant but positively correlated with genome size (R2 = 0.45, p > 0.05), with simple sequence repeats relative abundance (R2 = 0.18, p > 0.05) and relative density (R2 = 0.23, p > 0.05). Dinucleotide repeats were the most abundant in the coding region of the genome, followed by tri, mono, and tetra. This comparative study would help us understand the evolutionary relationship, genetic diversity, and hypervariability in minimal time and cost.

A Real-time Interaction of Molecular Modeling based on Distributed Processing System using a Web Service (웹 서비스를 통한 분산 시스템 기반의 분자 모델링 도구의 실시간 상호작용)

  • Kim, Bo-Soon;Park, Sung-Jun;Kim, Jee-In
    • 한국HCI학회:학술대회논문집
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    • 2006.02a
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    • pp.82-87
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    • 2006
  • 분자 모델링 시뮬레이션은 신 물질, 신약 개발에 범용적으로 사용되는 중요한 컴퓨터 소프트웨어이다. 교육과 연구 등의 분야에서는 사용자가 직접 입력 도구를 사용하여 분자 모델을 시뮬레이션을 하는 경우가 존재한다. 사용자가 직접 시뮬레이션을 하기 위해서는 가상의 3 차원 시각화 환경은 물론 생화학적으로 안정성 여부 검증에 도움을 주기 위해 에너지 계산 결과를 제공해야 한다. 그러나 대다수의 분자 모델링 도구가 시각화 환경 제공을 위주로 개발되었으며 에너지 계산 수식이 복잡하여, 사용자가 시뮬레이션 하는 가운데, 실시간으로 에너지 계산을 제공하지 못한다. 이러한 단점을 극복 하고자 본 논문에서는 어떠한 분자 모델링 도구라도 빠르게 에너지 계산을 반환 받을 수 있는 웹 서비스 기반의 분산 시스템 환경을 구현하였다. 또한 실시간으로 사용자가 시뮬레이션 할 수 있도록 작업 선별 처리 알고리즘(Job Skip Operation)을 개발, 적용하여 최신의 에너지 계산 요청에 대한 반환을 보장하였다. 본 연구는 사용자가 상호작용 기법을 통하여 가상의 분자 모델링 환경에서 화학적으로 안정된 분자 물질의 결합 위치를 빠르게 찾을 수 있도록 도와준다.

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Plasmid-DNAgram : Anagram Solving by Molecular Computing Based on GFP-Expressing Plasmid DNA (Plasmid-DNAgram : 녹색형광단백질 발현 Plasmid DNA 기반 분자컴퓨팅에 의한 언어 퍼즐 문제 해결)

  • Kim, Su-Dong;Lee, Eun-Seok;Zhang, Byoung-Tak
    • Annual Conference on Human and Language Technology
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    • 2003.10d
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    • pp.293-299
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    • 2003
  • 인간 게놈 프로젝트가 완료됨에 다라 생체서열과 언어 사이의 대응 관계가 부각되고 있다. 본고에서는 Lewis Carroll의 언어 유희 사례를 컴퓨터생물학의 측면에서 재조명하고, Carroll이 제시한 문제 중에서 간단한 anagram 문제의 해결을 다루고자 한다. 우선 DNA 컴퓨팅의 방법론을 적용한 DNAgram의 개념을 확장하여 plasmid-DNAgram의 개념을 새롭게 도입하였다. 이 개념을 형광단백질에 대한 DNAgram의 개념을 확장하여 plasmid-DNAgram의 개념을 새롭게 도입하였다. 이 개념을 형광단백질에 대한 FRET(fluorescent resonance energy transfer)분석기법의 응용 사례인 cameleon 형광단백질에 대한 FRET 분석기법에 적용함으로써 anagram 문제의 어휘론적, 구문론적, 의미론적, 화용론적 측면에 대응하는 바이오분자 컴퓨팅 방법론을 제안하였다.

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Theoretical Investigations on the Copolymerization of Vinyl Pivalate and Vinyl Acetate (피발산비닐과 아세트산비닐의 공중합에 관한 이론적 고찰)

  • Ghim, Han-Do;Kim, Jae-Pil;Lyo, Won-Seok
    • Proceedings of the Korean Fiber Society Conference
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    • 2002.04a
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    • pp.29-32
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    • 2002
  • Thermodynamics of copolymerization is one of the fundamental elements for studying the effects of copolymerization parameters on the copolymer characteristics. Up until now, it has not been easy work not because there are not effective models but because the known thermodynamic values are limited to some copolymer pairs. Recently, owing to the development of molecular modeling methods, some thermodynamic parameters can be calculated and estimated on computer. (omitted)

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The Estimation of cmc Values by Analysis of the Structural Character of the Surfactants (계면활성제의 구조특성의 해석에 의한 cmc치의 추정)

  • No, Seung-Ho;Lee, Sun-Ju;Nam, Ki-Dae
    • Applied Chemistry for Engineering
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    • v.2 no.3
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    • pp.222-228
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    • 1991
  • The cmc values of the arbitrary surfactants were estimated by the method of the multivarial explanation by the computer that put in the suitable score of the various kinds of the structural unit. The 1.00 in the total. We can obtain reasonably accurate cmc values for the surfactant with the simple molecular structure.

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A Method for Identifying Splice Sites and Translation Start Sites in Human Genomic Sequences

  • Kim, Ki-Bong;Park, Kie-Jung;Kong, Eun-Bae
    • BMB Reports
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    • v.35 no.5
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    • pp.513-517
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    • 2002
  • We describe a new method for identifying the sequences that signal the start of translation, and the boundaries between exons and introns (donor and acceptor sites) in human mRNA. According to the mandatory keyword, ORGANISM, and feature key, CDS, a large set of standard data for each signal site was extracted from the ASCII flat file, gbpri.seq, in the GenBank release 108.0. This was used to generate the scoring matrices, which summarize the sequence information for each signal site. The scoring matrices take into account the independent nucleotide frequencies between adjacent bases in each position within the signal site regions, and the relative weight on each nucleotide in proportion to their probabilities in the known signal sites. Using a scoring scheme that is based on the nucleotide scoring matrices, the method has great sensitivity and specificity when used to locate signals in uncharacterized human genomic DNA. These matrices are especially effective at distinguishing true and false sites.