• 제목/요약/키워드: Structure-based design

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Computer-Aided Drug Discovery in Plant Pathology

  • Shanmugam, Gnanendra;Jeon, Junhyun
    • The Plant Pathology Journal
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    • 제33권6호
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    • pp.529-542
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    • 2017
  • Control of plant diseases is largely dependent on use of agrochemicals. However, there are widening gaps between our knowledge on plant diseases gained from genetic/mechanistic studies and rapid translation of the knowledge into target-oriented development of effective agrochemicals. Here we propose that the time is ripe for computer-aided drug discovery/design (CADD) in molecular plant pathology. CADD has played a pivotal role in development of medically important molecules over the last three decades. Now, explosive increase in information on genome sequences and three dimensional structures of biological molecules, in combination with advances in computational and informational technologies, opens up exciting possibilities for application of CADD in discovery and development of agrochemicals. In this review, we outline two categories of the drug discovery strategies: structure- and ligand-based CADD, and relevant computational approaches that are being employed in modern drug discovery. In order to help readers to dive into CADD, we explain concepts of homology modelling, molecular docking, virtual screening, and de novo ligand design in structure-based CADD, and pharmacophore modelling, ligand-based virtual screening, quantitative structure activity relationship modelling and de novo ligand design for ligand-based CADD. We also provide the important resources available to carry out CADD. Finally, we present a case study showing how CADD approach can be implemented in reality for identification of potent chemical compounds against the important plant pathogens, Pseudomonas syringae and Colletotrichum gloeosporioides.

FPSO Riser 지지구조의 설계최적화에 대한 근사화 기법의 비교 연구 (A Comparative Study of Approximation Techniques on Design Optimization of a FPSO Riser Support Structure)

  • 심천식;송창용
    • 한국전산구조공학회논문집
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    • 제24권5호
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    • pp.543-551
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    • 2011
  • 본 논문에서는 해양작업 상태의 하중조건을 고려한 부유식 원유생산 저장 하역장치에 설치된 라이져 보강구조의 강도설계에 관련하여 다양한 근사화 기법 기반 설계최적화 및 그 성능을 비교하고자 한다. 설계최적화 문제는 하중조건별 구조강도의 제한조건 하에서 중량을 최소화하여 설계변수인 구조 부재치수가 결정되도록 정식화된다. 비교 연구를 위해 사용된 근사화 기법은 반응표면법 기반 순차적 근사최적화(RBSAO), 크리깅 기반 순차적 근사최적화(KBSAO), 그리고 개선된 이동최소자승법(MLSM) 기반 근사최적화 기법인 CF-MLSM와 Post-MLSM이다. RBSAO와 KBSAO의 적용을 위하여 상용프로세스 통합 설계최적화(PIDO) 코드를 사용하였다. 본 연구에 적용한 MLSM 기반 근사최적화 기법들은 제한조건의 가용성을 보장할 수 있도록 새롭게 개발되었다. 다양한 근사화 모델 기반 설계최적화 기법에 의한 결과는 설계 해의 개선 및 수렴속도 등의 수치적 성능을 기준으로 실제 비근사 설계최적화 결과와 비교 검토하였다.

설계 민감도를 이용한 부분 구조물의 기여도 분석 (Effects of the Component Structures on the Vibration of the Total system Using Design Sensitivity Analysis)

  • 이선병;임홍재;김효식
    • 대한기계학회:학술대회논문집
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    • 대한기계학회 2001년도 춘계학술대회논문집B
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    • pp.533-539
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    • 2001
  • In this research, design Sensitivity Analysis is presented for commercial vehicle such as large scale structural system. The proposed method is based on vibration analysis of the total structure and design sensitivity to identify the contribution factor of the component structure to the total system structure. In addition, approximated equations derived from response surface method are used for representative section properties of the thin walled beams.

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Review: Development of Numencal Wave Flume CABMAS-SURF (SUper Roiler Flume for Computer Aided Design of MAritime Structure)

  • Fujima, Koji
    • 한국해안해양공학회:학술대회논문집
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    • 한국해안해양공학회 2002년도 한국해안해양공학발표논문집 Proceedings of Coastal and Ocean Engineering in Korea
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    • pp.1-13
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    • 2002
  • For design of maritime structure, it is necessary to evaluate the effect and stability of the structure against wave action. Laboratory model experiments and their empirical formulas are mainly used to estimate those at present, although empirical formulas have a problem of accuracy and hydraulic experiments of cost and duration. In addition, performance-based design, which may be popularized as a new design concept in the near future, requires much more information than that obtained by empirical formulas and laboratory tests. Thus, numerical simulation may become more important hereafter for structure design. (omitted)

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CONSTRUCTABILITY IMPLEMENTATION MODEL USING DEPENDENCY STRUCTURE MATRIX

  • Youngjib Ham;Moonseo Park;Hyun-Soo Lee
    • 국제학술발표논문집
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    • The 4th International Conference on Construction Engineering and Project Management Organized by the University of New South Wales
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    • pp.550-555
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    • 2011
  • Utilizing construction knowledge and experiences in design phase can reduce change orders and improve productivity in construction phase. To do so, information must be made available to the design team in time. Current approaches for effective utilization of constructability knowledge, however, only focus on the formalization of constructability knowledge such as a checklist, which lacks the consideration of the appropriate use at the proper point in time. The inadequate use of constructability knowledge can result in unnecessary reworks. To deal with this problem, the design team needs to know what constructability knowledge is required for specific design activities in the design process. This paper presents a constructability implementation model using the dependency structure matrix (DSM) that focuses on information flows between design activities and constructability knowledge. For this objective, design activities in the design process are modeled in a matrix form based on their dependency. Then, constructability knowledge, which needs to be considered in the design stage, is mapped into activities and incorporated into the matrix, creating Constructability-DSM (C-DSM). Next, the partitioning algorithm is applied to C-DSM for optimal information flow. The Partitioned C-DSM is then analyzed based on the relationship between activities. Finally, the optimal utilization of construction knowledge in the design process is determined by identifying what constructability knowledge is required for each design activity, and how and when it is reflected to design for constructability. Thus, this research can help provide robust control actions to reduce unnecessary iterative cycles in design process for efficient constructability implementation.

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Design Learning Environment based on Affordance Concept for Convergent Design Education

  • Kim, Sunyoung
    • International Journal of Advanced Culture Technology
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    • 제8권1호
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    • pp.199-206
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    • 2020
  • I suggested the design learning environment based on affordance concept approach for supporting and improving learners' behavior and outcome for convergent design education in this study. The design learning space should be applied teaching and learning activity, especially learners' behavior, physical space condition to support the design thinking process. The design learning space needs openness, individuality and connectivity to support the learners' behavioral to immerse, participate, cooperate, understand, think and fulfill the design thinking process. The composition principles of the learning environment for convergent design education supports communication and collaboration among members for independence and interaction. The spaces for design research and teaching needs high privacy while facilitating visual communications through special materials and wall structure design. Also, for connectivity to improve the learners' physical and visual contact, the environment of the classrooms requires flexibility and mobility by providing an open space integrating unit cells for realizing learning purpose. These are provided by formed of an open structure for inducing visual communication and physical contact to involve the design activities and the mutual interchange.

함정 개념설계 프로세스 최적화를 위한 시스템엔지니어링 기반의 설계구조행렬 방법론 적용 (Application of Systems Engineering based Design Structure Matrix Methodology for Optimizing the Concept Design Process of Naval Ship)

  • 박진원
    • 대한조선학회논문집
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    • 제56권1호
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    • pp.1-10
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    • 2019
  • Naval ship design and related other activities can be characterized by the complexity of the interactions among products, activities, and disciplines. Such complexities often result in inferior designs, cost overrun, and late-delivery. Hence there exist tremendous interests in both improving the design process itself and optimizing the interactions among design activities. This paper looks at the complexity of designing naval ships thereby leading to the innovation of current ship design practices using design structure matrix. It can be used to induce the optimal ordering of design activities as well as identify sources of complexities. The method presented here identifies coupled design activities useful for reducing the complexity of naval ship design as well as optimally reordering design activities. This paper recommends the use of design structure matrix method suitable for numerically optimizing the concept design process of naval ship, and reducing cost and time required in designing naval ships by modeling and analyzing the design activities and engineering tasks, defined in systems engineering planning documents.

Slurry Iron Sand Carrier의 피로 강도 향상에 관한 연구 (Study for Improving Fatigue Strength of Slurry Iron Sand Carrier)

  • 장철민;김대훈;이규호;이상복;고명섭
    • 대한조선학회 특별논문집
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    • 대한조선학회 2015년도 특별논문집
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    • pp.85-92
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    • 2015
  • In general, when ships are designed, structural strength and fatigue strength must be verified based on the relative rules respectively. In case of Slurry Iron Sand Carrier designed to carry Iron-Sand saturated at water content, there is no special consideration of fatigue strength analysis. However, this vessel is similar to Ore Carrier in consideration of the overall characteristics of loaded cargo and the shape of cargo hold. Therefore we verified fatigue strength based on fatigue analysis procedure of ore carrier in DNV Rules and carried out the study for improving of fatigue strength of Slurry Iron Sand Carrier.

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Active Vibration Control of a Structure with Output Feedback Based on Simultaneous Optimization Design Method

  • Kim, Young-Bok
    • Journal of Mechanical Science and Technology
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    • 제14권1호
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    • pp.57-64
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    • 2000
  • Recent advances in the field of control theory have enabled us to design active vibration control systems for various structures. In many studies, the controller used to suppress vibration has been synthesized for the given mathematical model of structure. In these cases, the designer has not been able to utilize the degree of freedom to adjust the structural parameters of the control object. To overcome this problem, so called 'Structure/Control Simultaneous Optimization Method' is used. In this context of view, this paper is concerned with the active vibration control of bridge towers, platforms and ocean vehicles etc. Simultaneous design method is used to achieve optimal system performance. Here, a general framework for the simultaneous design problem of output feedback case is introduced based on LMI (Linear Matrix Inequality). The simulation results show that the proposed design method achieves desirable control performance.

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