• Title/Summary/Keyword: Dock

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Comparison of X-ray Crystallographic Structures and Docking Models of Dihydrofolate Reductase-Inhibitor Complexes (Dihydrofolate Reductase-저해제 복합체에 대한 X-선 결정체 구조와 docking model의 구조 비교)

  • 안미현;최인희;김춘미
    • YAKHAK HOEJI
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    • v.46 no.6
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    • pp.416-425
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    • 2002
  • A comparative study to validate the reliability of a fully automated docking program, FlexiDock, was carried out to predict the binding modes of DHFR-inhibitor complex. The inhibitors were extracted from the crystallographically determined DHFR-NADP$^{+}$(H)-inhibitor ternary complexes of human, Escherichia coli and Candida albicans and then docked back into the remaining DHFR-NADP$^{+}$(H) binary complexes using FlexiDock. The resulting conformations and orientations were compared to the original crystal complex structures for reproducibility. Then, folate, the substrate, and known inhibitors such as methotrexate, piritrexim and trimethoprim were docked into the wild-type human DHFR and their binding modes were compared with X-ray crystallographic or other modeling data. The root mean square deviations (RMSDs) for ligands ranged from 1.14 to 1.57$\AA$, and the protein backbone RMSDs from 0.94 to 1.26$\AA$. FlexiDock reproduced the orientations and binding modes of all seven ligands in good agreement with the crystal structures. It proved to be a reliable and efficient program in studying binding modes of DHFR-inhibitor complexes of different species, and the information obtained from this work may provide additional insight into the design of new agents with improved activity.ity.

An Automatic Block Allocation Methodology at Shipbuilding Midterm Scheduling (조선 중일정 블록 배량 계획 자동화 연구)

  • Hwang, InHyuck;Nam, SeungHoon;Shin, JongGye
    • Korean Journal of Computational Design and Engineering
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    • v.17 no.6
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    • pp.409-416
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    • 2012
  • Most of the shipbuilding scheduling researches so far have been conducted with stress on the dock plan. That is due to the fact that the dock is the least extendable resource in shipyards and its overloading is difficult to resolve. However, once the dock scheduling is completed, it is also important to make a plan that make the best use of the rest of the resources in the shipyard, so that any additional cost is minimized. This study automates block allocation process by analyzing the existing manual process that designates production bays for the blocks during the midterm planning. Also, a planning scenario validation method is suggested, where block allocation scenarios based on diagrams are edited and simulated.

3D Structure of STAM1 UIM-ubiquitin Complex Using RosettaDock

  • Lim, Jong-Soo;Yi, Jong-Jae;Ahn, Hee-Chul;Rhee, Jin-Kyu;Son, Woo-Sung
    • Journal of the Korean Magnetic Resonance Society
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    • v.15 no.1
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    • pp.80-89
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    • 2011
  • 3D structures of STAM1 UIM-ubiquitin complex were presented to predict and analyze the interaction between UIM and ubiquitin. To generate the protein-peptide complex structure, the RosettaDock method was used with and without NMR restraints. High resolution complex structure was acquired successfully and evaluated electrostatic interaction in the protein-peptide binding with several charged residues at the binding site. From docking results, the Rosettadock method could be useful to acquire essential information of protein-protein or protein-peptide interaction with minimal biological evidences.

A Case Study of Caisson Typed Bridge-Foundation Fabrication and Installation in Ul-san Newport Breakwater Project (케이슨식 교량기초 제작 및 거치 시공사례 -울산 신항 방파제현장 시공 사례를 중심으로-)

  • JANG BYUNG-SOO;SIN SUNG-GWEN;KIM DUCK-HO
    • Proceedings of the Korea Committee for Ocean Resources and Engineering Conference
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    • 2004.11a
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    • pp.45-50
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    • 2004
  • The method of caisson typed bridge-foundation fabrication and installation applied in Ul-san newport breakwater project is throughly carried out to compact QRR mound vibro-hammer step by step to minimize settlement through stability check. Floating Dock was mobilized for caisson fabrication due to limited site area. fabricated caisson on the Floating Dock was towed to the deeper area of 8m water depth to be launched, and Floating Crane assisted launching and installation work of the caisson. finally water filling was done followed by surveying work to permanent installation.

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On the Countermeasure for Preventing the Accident of Cargo Handling in Port (항만하역관할의 원인분석 및 예방대책에 관하여)

  • 박용욱;이철영
    • Journal of the Korean Institute of Navigation
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    • v.17 no.3
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    • pp.57-68
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    • 1993
  • The economy of Korea has grown up significantly in its scale. It has, therefore, become imperative to develop countermeasures to prevent work related injuries and occupational illnesses resultining from haza-rdous working conditions and handling harmful substances. A lot of cargo handling accident in port have occurred due to the characteristics of poor working environment, diversity of working place and method, fluctuation of the amount of cargo and handling of heavy, long, harmful and dangerous cargo, etc. According to '91 industrial accident analysis carried out by the ministry of labour, the number of the stevedores injured by cargo handling accident in port were 1, 432 persons (the death accident : 22 per-sons), the amount of industrial accident compensation in port was 6.7 billion won (the amount of economic loss : 33.6 billion won), and the injury occurance rate of the stevedoring industry was higher than that of the whole industry. This paper, therefore, aims to the actual status of the stevedoring industry and to extract the main cau-ses of the accidents related to cargo handling in port through factor analysis using the data of the accide-nts in the whole habour from 1990 to 1992, and to suggest the countermeasures to prevent such accident. The main causes of the accident and countermeasures are found to be as follows through the factor analy-sis : Factor1, factor2, and factor3 related to a defect of human being and management, a defect of state and environment, and an insufficiency of education and law are extracted. The short-term countermeasures to prevent these accidents are 1) to consolidate the safety and health organization in the working spot, 2) to secure a safe condition in working spot before dock work, 3) to strengthen a dock worker's safety educa-tion. The long-term countermeasures are 1) to promote a decasualisation of dock workers, 2) to modernize the cargo working methods through constructing exclusive pier and introducing exclusive cargo handling equipment, 3) to establish a exclusive dock accident prevention organization and the dock workers law. Factor 4, factor5, factor6, and factor7 related to an unfitness, a deficiency of technical knowledge, a nonfu-lfilment of safety measures, and a bad arrangement are extracted. The countermeasures to prevent these accidents are 1) to perform a complete safety inspection of cargo handling equipments and tools and to carry out the dock work according to a working plan, 2) to publish and supply technical safety books, safety instruction book, safety check list, etc., 3) to strengthen the safety patrol at the working spot in habour and to activate a safety fund, 4) to maintain always a clean workshop with the safety consciousness in which the good arragement of the working spot is considered to be the beginning of safety.

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Research on the Design and Economic Analysis for the Operation of Cargo Batch Loading and Unloading Systems (일괄 하역장비 운영을 위한 하역작업장 설계 및 경제성 분석에 관한 연구)

  • Kang, Moo-Hong;Lee, Suk;Chu, Yaung-Gil;Choi, Sang-Hei;Won, Seung-Hwan;Cho, Sung-Woo;Kim, Woo-Sun
    • Journal of Korea Port Economic Association
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    • v.33 no.1
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    • pp.1-10
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    • 2017
  • The dynamic nature of mechanization and automation to improve productivity and safety within logistics centers, has necessitated various studies to support efficient and safe working conditions for workers. However, accidents in the loading dock occur frequently as workers and forklift trucks operate within the same space. This research introduces cargo batch loading and unloading systems, which enable increasing productivity and safety through the use of mechanization and automation in the loading dock. To assist efficient operation of this new system, four pieces of general-purpose equipment or three pieces of dedicated equipment are deemed to be essential. Moreover, the floor area of the loading dock is designed to accommodate $256.28m^2$ and $207.00m^2$ for the general-purpose and dedicated systems respectively, in addition to the space allocated for equipment and additional space. The design of the loading dock considers the area of the loading dock as well as the cargo batch loading and unloading systems. Economic analysis, such as NPV, IRR, and PBT, were conducted in addition to sensitivity analysis on key variables.

Design and Implementation of Service based Virtual Screening System in Grids (그리드에서 서비스 기반 가상 탐색 시스템 설계 및 구현)

  • Lee, Hwa-Min;Chin, Sung-Ho;Lee, Jong-Hyuk;Lee, Dae-Won;Park, Seong-Bin;Yu, Heon-Chang
    • Journal of KIISE:Computer Systems and Theory
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    • v.35 no.6
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    • pp.237-247
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    • 2008
  • A virtual screening is the process of reducing an unmanageable number of compounds to a limited number of compounds for the target of interest by means of computational techniques such as molecular docking. And it is one of a large-scale scientific application that requires large computing power and data storage capability. Previous applications or softwares for molecular docking such as AutoDock, FlexX, Glide, DOCK, LigandFit, ViSION were developed to be run on a supercomputer, a workstation, or a cluster-computer. However the virtual screening using a supercomputer has a problem that a supercomputer is very expensive and the virtual screening using a workstation or a cluster-computer requires a long execution time. Thus we propose a service-based virtual screening system using Grid computing technology which supports a large data intensive operation. We constructed 3-dimensional chemical molecular database for virtual screening. And we designed a resource broker and a data broker for supporting efficient molecular docking service and proposed various services for virtual screening. We implemented service based virtual screening system with DOCK 5.0 and Globus 3.2 toolkit. Our system can reduce a timeline and cost of drug or new material design.

Development of a Simulation Model for the Evaluation of the Off-Dock Container Yard (자영 컨테이너 장치장의 평가를 위한 시뮬레이션 모델의 개발)

  • 윤원영
    • Journal of the Korea Society for Simulation
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    • v.6 no.1
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    • pp.109-122
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    • 1997
  • The Off-Dock Container Yard (ODCY)s in Pusan are located at 48 different places, and it causes serious problems in the container cargo transport and inland traffic near Pusan district. Hence, the analysis and evaluation of ODCY operation is important. Therefore, this paper proposes a simulation model which evaluates the operation of ODCY. It also proposes a simulation model using an object-oriented approach which includes the system is modeled with object-class hierarchy and SIMPLE++, an object-oriented simulation software, is used to develop the model.

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Seasonal Fluctuation of Phytoplankton in Inchon Dock-Autumn, 1976 (인천항 선거내 식물성 플랑크톤의 추계동태에 대하여)

  • 정영호
    • Journal of Plant Biology
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    • v.20 no.3
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    • pp.135-140
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    • 1977
  • A series of observations of phytoplankton were made at seven station with two control stations in Inchon Dock to clarify the quantity, quality and standing crop of phytoplankton from Oct. to Nov., 1976. Thirty seven species of phytoplankton, representing 18 genera, 36 species, 1 forma were taken in this research. Chaetoceros decipiens, Rhizosolenia delicatula, Hemiaulus sinensis, Chaetoceros affinis and Skeletonema costatum were the dominant species in this area during two moths. By the ecological division, the neritic species occupied 86.5% of total phytoplankton composition. Standing crop of phytoplankton represented much variation: ranging from 263 to 1, 614, 832 cells/l. The maximum happened at station 1 on November.

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A Study on the operating activation of small dock - focusing on the busan new port (중소형부두의 운영 활성화 방안 연구 - 부산 신항을 중심으로)

  • Ko, Beo-Deul;Lee, Myoun-Soo;Nan, Ki-Chan;Kwak, Kyu-Seok
    • Proceedings of the Korean Institute of Navigation and Port Research Conference
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    • 2011.06a
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    • pp.408-409
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    • 2011
  • Transshipment cargo volume in 2010 compared to 1st quarter 2011 increased 8.43 percent of busan port for transshipment of cargo. thus transshipment of cargo is growing among, south east container terminals and Horando area of new port is planing to develop using small dock for the operations in order to enable. therefore, this study is to deduce implications for operating activation about 6 berths of feeder port in pusan new port that is planing to develop with dock that could be docked very large container ships and feeder dock that could be handled transshipment of cargo.

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