• 제목/요약/키워드: docking

검색결과 613건 처리시간 0.026초

회전 Laser 슬릿 빔을 이용한 AGV의 위치 및 자세의 검출 (Detection of AGV's position and orientation using laser slit beam)

  • 박건국;김선호;박경택;안중환
    • 한국항해항만학회:학술대회논문집
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    • 한국항해항만학회 2000년도 추계학술대회논문집
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    • pp.219-225
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    • 2000
  • The major movement block of the containers have range between apron and designation points on yard in container terminal. The yard tractor operated by human takes charge of its movement in conventional container terminal. In automated container terminal, AGV(Automated Guided Vehicle) has charge of the yard tractor's role and the navigation path is ordered from upper level control system. The automated container terminal facilities must have the docking system to guide landing line to have high speed travelling and precision positioning. The general method for docking system uses the vision system with CCD camera, infra red, and laser. This paper describes the detection of AGV's position and orientation using laser slit beam to develop docking system.

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A Potential Target of Tanshinone IIA for Acute Promyelocytic Leukemia Revealed by Inverse Docking and Drug Repurposing

  • Chen, Shao-Jun
    • Asian Pacific Journal of Cancer Prevention
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    • 제15권10호
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    • pp.4301-4305
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    • 2014
  • Tanshinone IIA is a pharmacologically active ingredient extracted from Danshen, a Chinese traditional medicine. Its molecular mechanisms are still unclear. The present study utilized computational approaches to uncover the potential targets of this compound. In this research, PharmMapper server was used as the inverse docking tool andnd the results were verified by Autodock vina in PyRx 0.8, and by DRAR-CPI, a server for drug repositioning via the chemical-protein interactome. Results showed that the retinoic acid receptor alpha ($RAR{\alpha}$), a target protein in acute promyelocytic leukemia (APL), was in the top rank, with a pharmacophore model matching well the molecular features of Tanshinone IIA. Moreover, molecular docking and drug repurposing results showed that the complex was also matched in terms of structure and chemical-protein interactions. These results indicated that $RAR{\alpha}$ may be a potential target of Tanshinone IIA for APL. The study can provide useful information for further biological and biochemical research on natural compounds.

Docking Study of Cysteinyl Leukotriene 1 Receptor: Therapeutic Target for Allergy

  • Babu, Sathya
    • 통합자연과학논문집
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    • 제9권4호
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    • pp.228-233
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    • 2016
  • Cysteinyl leukotrienes are inflammatory mediators having important role in pathophysiological conditions such as asthma and allergic rhinitis. CysLT1 receptor mediates most of the disease regulatory actions of the CysLTs and it is been implicated in a number of inflammatory conditions including gastrointestinal and cardiovascular diseases. Hence in the present study, molecular docking of CysLT1 was performed with its potent and orally efficacious antagonist CP-199330 and CP-199331. The aim of this study was to compare the interaction of CP-199330 and CP-199331 with known drugs such as Zafirlukast, Pranlukast and Montelukast which had already showed clinical efficacy in the treatment of asthma. The residues such as TYR83, GLN274, LYS311 and SER313 were found to interact with both the antagonist and the known drugs. Also, we noticed the docking scores and interaction of the antagonists were comparable with the known drugs. Hence these antagonists could serve as better drugs for the treatment of allergy.

크로스도킹 시스템에서의 입고 및 출하 트럭의 배차 전략 개발 (Development of Dispatching Strategy for Inbound and Outbound Trucks in Cross Docking System)

  • 유우연;파이어스 애그밸루
    • 대한안전경영과학회지
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    • 제15권2호
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    • pp.167-184
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    • 2013
  • A cross docking operation involves multiple inbound trucks that deliver items from suppliers to a distribution center and multiple outbound trucks that ship items from the distribution center to customers. Based on customer demands, an inbound truck may have its items transferred to multiple outbound trucks. Similarly, an outbound truck can receive its consignments from multiple inbound trucks. The objective of this study is to find the best truck spotting sequence for both inbound and outbound trucks in order to minimize total operation time of the cross docking system under the condition that multiple visits to the dock by a truck to unload or load its consignments is allowed. The allocations of the items from inbound trucks to outbound trucks are determined simultaneously with the spotting sequences of both the inbound and outbound trucks.

경인항 부두에서의 모바일하버 자동 Docking시스템 활용방안

  • 이계광;정효석;김세원
    • 한국항해항만학회:학술대회논문집
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    • 한국항해항만학회 2011년도 춘계학술대회
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    • pp.52-54
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    • 2011
  • 모바일 하버는 해상에서 대형 컨테이너선과 연결 후 고속으로 정밀하게 컨테이너를 상 하역해 부두로 이송하는 신개념 해상 운송수단이며, 이 모바일 하버의 자동 Docking시스템은 파도와 바람의 끊임없이 움직이는 두 부유체를 안전하고 신속하게 측면으로 밀착해 일정 거리를 유지하여 컨테이너의 상 하역을 안전하게 도와주는 장치로서, 자동 Docking시스템의 주요 핵심 시스템을 소개하고자 한다. 부두나 항구에 정박하는 선박들의 안전하고 빠른 계류 활용을 위한 안벽 계류 시스템으로 경인항 부두에 응용한다면 효율적인 항구 운용, 선박 및 여객선의 빠르고 안전한 계류, 신항만 운용 기술의 선구자 역할을 담당할 것으로 사료되며, 적절하고 효과적인 활용방안에 대해 언급하고자 한다.

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Molecular Docking Studies of p21-Activated Kinase-1 (PAK1) Inhibitors

  • Balupuri, Anand;Balasubramanian, Pavithra K.;Cho, Seung Joo
    • 통합자연과학논문집
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    • 제9권3호
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    • pp.161-165
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    • 2016
  • The p21-activated kinase-1 (PAK1) has emerged as a potential target for anticancer therapy. It is overexpressed in ovarian, breast and bladder cancers. This suggests that PAK1 may contribute to tumorigenesis. 4-azaindole derivatives are reported as potent PAK1 inhibitors. The present work deals with the molecular docking studies of 4-azaindoles with PAK1. Probable binding mode of these inhibitors has been identified by molecular modeling. Docking results indicated that hydrogen bonding interactions with Glu345 and Leu347 are responsible for governing inhibitor potency of the compounds. Additionally, Val284, Val328, Met344 and Leu396 were found to be accountable for hydrophobic interactions inside the active site of PAK1.

Molecular docking to EGFR tyrosine kinase domain : Structural Validation against Crystal Structures

  • 장준영
    • EDISON SW 활용 경진대회 논문집
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    • 제5회(2016년)
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    • pp.126-130
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    • 2016
  • Epidermal growth factor receptor(EGFR)는 HER family에 속하는 tyrosine kinase receptor로서 다양한 하류경로로 신호를 전달하여 세포 증식, 혈관 형성, 세포 사멸을 억제하는 역할을 한다. EGFR이 폐암의 형성에 중요한 역할을 하고 많은 상피세포 종양에서 비정상적으로 활성화됨에 따라 암 치료에 중요한 역할을 하고 있어 EGFR tyrosine kinase inhibitor(TKI)에 관한 많은 연구가 이루어졌다. 위와 같은 약 개발에 있어서 현재 가상 시뮬레이션을 통한 약 후보물질 개발이 진행되고 있다. 특히, Molecular docking 시뮬레이션은 기존의 실험적인 기술(X-ray crystallography, NMR)로는 연구하기가 어려웠던 protein과 ligand간의 상호작용을 예측하여 이에 대한 정보를 제공할 수 있다. 하지만, 우선적으로 Molecular docking 시뮬레이션은 정확한 validation을 기반으로 진행되어야 신뢰할 수 있는 정보를 얻을 수 있다. 따라서 이번 연구에서는 EDISON에서 제공하는 Dock 프로그램과 일반적으로 잘 알려진 Glide, Autodock 프로그램으로 protein data bank(PDB)에서 제공하는 EGFR wild type cocrystal을 redocking하는 방식을 통하여 최상위 rank pose의 RMSD 값을 통한 validation 성능을 비교함으로써 어떤 프로그램이 EGFR과 ligand 간의 결합예측을 하는데 있어서 보다 더 정확한 결과를 낼 수 있는지 알아보고자 하였고 시뮬레이션 결과 Autodock에서 가장 우수한 결과 값을 보여주었다.

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3D Computational Modeling of Human P-gp NBD2 with Papyriferic Acid Derivatives

  • Gadhe, Changdev G.
    • 통합자연과학논문집
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    • 제5권3호
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    • pp.190-194
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    • 2012
  • Human P-gp is one of the protein responsible for the multidrug resistance (MDR) develpment. MDR is a major cause of the cancer chemotherapy. In this paper, we performed homology modeling, docking study of papayriferic acid into the P-gp nucleotide binding domain (NBD2). For human P-gp, X-ray crystal structure is not known yet. We developed homology model for human NBD2 using HlyB ABC transporter structure (PDB code: 1XEF, resolution 2.5 ${\AA}$). Docking study was performed using Autodock. Docking result was analyzed, which shows that ligand docks into steroid binding site and interacts through hydrophobic and hydrophilic interactions.