• 제목/요약/키워드: DOCK

검색결과 353건 처리시간 0.033초

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

  • 안미현;최인희;김춘미
    • 약학회지
    • /
    • 제46권6호
    • /
    • pp.416-425
    • /
    • 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.

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

  • 황인혁;남승훈;신종계
    • 한국CDE학회논문집
    • /
    • 제17권6호
    • /
    • pp.409-416
    • /
    • 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
    • 한국자기공명학회논문지
    • /
    • 제15권1호
    • /
    • pp.80-89
    • /
    • 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.

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

  • 장병수;신성권;김덕호
    • 한국해양공학회:학술대회논문집
    • /
    • 한국해양공학회 2004년도 학술대회지
    • /
    • pp.45-50
    • /
    • 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.

  • PDF

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

  • 박용욱;이철영
    • 한국항해학회지
    • /
    • 제17권3호
    • /
    • pp.57-68
    • /
    • 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.

  • PDF

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

  • 강무홍;이석;추양길;최상희;원승환;조성우;김우선
    • 한국항만경제학회지
    • /
    • 제33권1호
    • /
    • pp.1-10
    • /
    • 2017
  • 물류센터의 생산성 및 안전도 향상을 위한 기계화 및 자동화가 급속도로 진행되고 있으며, 작업자들의 효율적이고 안전한 작업 지원을 위한 다양한 연구들이 진행되고 있다. 하지만, 집배송차량과 물류센터 간 연결 역할을 하고 있는 하역작업장의 경우는 아직까지도 지게차 위주의 작업이 이루어지고 있다. 또한 지게차와 작업자가 같은 공간에서 함께 작업함에 따라 이로 인한 안전사고도 자주 발생하고 있다. 따라서 본 연구에서는 상하역자업장의 기계화 및 자동화를 통해 생산성과 안전성 향상의 문제를 해결하기 위해 여러 개의 팔레트를 한꺼번에 작업할 수 있는 일괄 하역장비들에 대해 소개하였다. 일괄 하역장비들은 새로운 개념의 하역장비로 적용 시 효율적인 운영을 위해 필요한 적정 장비 대수는 범용 4대, 전용 3대이다. 작업장 면적은 장비크기와 부가공간을 포함하여 범용 $256.28m^2$, 전용 $207.00m^2$가 필요하며 이를 기반으로 작업장 면적 및 일괄 상하역장비를 고려한 상하역작업장을 설계하였다. 또한 NPV, IRR, PBT 등 경제성 분석을 실시하였으며 주요 변수에 대한 민감도 분석을 수행하였다.

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

  • 이화민;진성호;이종혁;이대원;박성빈;유헌창
    • 한국정보과학회논문지:시스템및이론
    • /
    • 제35권6호
    • /
    • pp.237-247
    • /
    • 2008
  • 가상 탐색은 대규모의 화학분자 데이타베이스의 화학분자 데이타들을 분자 다킹과 같은 컴퓨팅 기술을 이용하여 한정된 소규모의 화학분자만을 스크리닝하는 과정으로, 대규모 컴퓨팅 파워와 데이터 저장 용량을 요구하는 대표적인 대규모의 과학 어플리케이션이다. AutoDock, FlexX, Glide, DOCK, LigandFit, ViSION 등과 같은 기존의 분자 다킹 소프트웨어나 어플리케이션들은 슈퍼 컴퓨터, 단일 클러스터, 또는 단일 워크스테이션 둥을 이용하여 작업을 수행하도록 개발되었다. 하지만 슈퍼컴퓨터를 이용한 가상 탐색은 너무 많은 비용이 든다는 문제점이 있고, 단일 클러스터나 워크스테이션을 이용한 가상 탐색은 오랜 수행 시간이 요구되는 문제점을 가지고 있다. 이에 본 논문에서는 대규모의 데이타 집약적인 연산을 지원하는 그리드 컴퓨팅 기술을 이용하는 서비스 기반 가상 탐색 시스템을 제안한다. 이를 위해 본 논문에서는 가상 탐색을 위한 3차원 화학 데이타베이스를 구축하였다. 그리고 효율적인 분자 다킹 서비스를 제공하기 위해 자원 브로커와 데이타 브로커를 설계하고 가상 탐색을 위한 다양한 서비스들을 제안하였다. 본 논문에서는 DOCK 5.0과 Globus 3.2를 이용하여 서비스 기반 가상 탐색 시스템을 구현하고 성능 평가를 실시하였다. 본 논문에서 구현한 서비스 기반 가상 탐색 시스템은 신약 개발이나 신소재 개발 과정에서 연구 개발 기간을 단축하고 개발 비용을 절감할 수 있다.

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

  • 윤원영
    • 한국시뮬레이션학회논문지
    • /
    • 제6권1호
    • /
    • pp.109-122
    • /
    • 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.

  • PDF

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

  • 정영호
    • Journal of Plant Biology
    • /
    • 제20권3호
    • /
    • pp.135-140
    • /
    • 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.

  • PDF

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

  • 고버들;이면수;남기찬;곽규석
    • 한국항해항만학회:학술대회논문집
    • /
    • 한국항해항만학회 2011년도 춘계학술대회
    • /
    • pp.408-409
    • /
    • 2011
  • 2010년 1사분기 환적물동량에 비하여 2011년 동 분기 부산항 환적물동량은 8.43% 증가하였다. 이렇게 환적물동량이 증가하고 있는 가운데, 중소형 부두(이하 피더부두)를 활용한 운영 효율을 활성화하기 위하여 부산 신항 서컨부두 남측과 호란도 지역을 포함하여 6개 선석이 개발 계획 중이다. 따라서 본 연구는 초대형 컨테이너선을 접안할 수 있는 부두와 환적화물을 처리 할 수 있는 피더부두와 연계하여 개발 계획 중인 부산 신항의 피더부두 6개 선석에 대한 운영 활성화 방안에 대해 시사점을 도출하고자 한다.

  • PDF