• Journal of Advanced Research in Ocean Engineering
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• v.2 no.3
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• pp.150-157
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• 2016

When blocks are supported on a dock, huge reaction forces concentrated at the supports cause structural damage owing to local stress concentrations. Thus, the supports should be arranged to avoid local failure from the reaction forces by redistributing those forces. Docking analyses to determine the proper blocks and their support arrangements are introduced so that the local stresses are minimized to warrant the safety of the docking supports. Local stresses enforced by the support arrangement should be evaluated by finite element analysis (FEA). However, it is difficult to consider an accurate 3D geometry of the blocks in the finite element model because the structural design information is too complicated to determine within several days using the FEA model. This paper presents a simplified FE model to evaluate the safety of the arrangement of supports using a simplified grillage element. The grillage element can be efficiently used to obrain the reaction forces in docking analysis becasuse the reaction forces at the supports are enough to assess the safety of block. Since a simplified grillage model of the entire ship cannot accurately calculate the local stresses, an optimized modeling method based on the grillage element was introduced. The local reaction forces obtained by the proposed approach and three-dimensional FEA were discussed for typical types of ships. It is shown that the reaction forces obtained by the present grillage model are in reasonably good agreement with the FEA model.

• KIPS Transactions on Software and Data Engineering
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• v.6 no.4
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• pp.217-222
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• 2017

Recent studies for working robot in dangerous places have been carried out on large unmanned ground vehicles or 4-legged robots with the advantage of long working time, but it is difficult to apply in practical dangerous fields which require the real-time system with high locomotion and capability of delicate working. This research shows the collaborated docking system of drone and ground vehicles which combines image processing algorithm and laser sensors for effective detection of docking markers, and is finally capable of moving a long distance and doing very delicate works. We proposed the docking system of drone and ground vehicles with sensor fusion which also suggests two template matching methods appropriate for this application. The system showed 95% docking success rate in 50 docking attempts.

• Journal of Integrative Natural Science
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• v.4 no.4
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• pp.273-277
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• 2011

It's a threat for the public health that H1N1 (Influenza virus A) causes disease and transmits among humans. WHO (world health organization) declared that the infections caused by the new strain had reached pandemic proportions. The approved neuraminidase inhibitors (Zanamivir and Oseltamivir) and related investigative drug (BCX-1812) are potent, specific inhibitors of influenza A and B viruses. These drugs are highly effective to prevent influenza A and B infections. Early therapeutic use reduces illness duration and respiratory complications. Recently, we found one of the potent inhibitor of erystagallin A ($IC_{50}$ of 2.04 ${\mu}M$) for neuraminidase target, this inhibitor shows most similar structure to its natural substrate, sialic acid. Therefore, we chose 1l7f to get the receptor structure for docking study among many crystal structures. A docking study has been performed in Surflex-Dock module in SYBYL 8.1. In the present study, we attempt to compare the docking studies of pterocarpin and erystagallin A with neuraminidase receptor structure. In the previous report, the methoxy group of pterocarpin had H-bonding with Arg residues. The present docking results for erystagallin A showed the backbone of hydroxyl group shows significant H-bonding interactions with Arg152 and Arg292. The results showed that erystagallin A interacts more favorably with distinctive binding site rather than original active site. Therefore, we tried to reveal plausible binding mode and important amino acid for this inhibitor using docking and site id search calculations of Sybyl. The results obtained from this work may be utilized to design novel inhibitors for neuraminidase.

• The Journal of Korean Institute of Communications and Information Sciences
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• v.35 no.9B
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• pp.1314-1321
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• 2010

This system configures a position Sensor as installing on the ship and a guidance system docking of ship what distinguish of the ship about the use and size. The maintain system is received the result of distinction via UWB reader. This system send a information of ship of docking position to user. Thus it suggests the safety to prevent from crash among ships and saves energy and stop waste. The proposed system periodically updates the information of docking position of the ship and monitors in real-time according to the user's request from personal mobile devices. In this paper, we implement of a guidance system Testbed for docking of the ship using position UWB sensor. And user is provided convenience to find easily user's ship in docking area through user interface with Java. Addedly it is possible to prevent ship theft.

• YAKHAK HOEJI
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• v.53 no.4
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• pp.222-227
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• 2009

Human topoisomerase I (Topo I) plays a pivotal role in cell replication, transcription and repair and, therefore, is an important anti-cancer target. 20S-camptothecin (CPT) is a representative Topo I inhibitor. Compounds belonging to CPT family inhibit the religation step of Topo I-DNA by binding to the DNA cleavage site. Computational docking studies with Surflex-Dock were carried out to investigate the binding modes between Topo I-DNA binary complex structure and the ligand such as 20S-CPT and 9,10-substituted 20S-CPT analogues. The docking results demonstrated that most of the compounds with $IC_{50}$ value under $0.5{\mu}M$ intercalated exactly between the -1 and +1 DNA bases, deeply toward the cleavage site. The complex was stabilized by hydrogen-bonding and hydrophobic interactions with both the enzyme and the DNA. The compounds with $IC_{50}$ value above $0.5{\mu}M$ were poorly docked and did not intercalate. In addition, the docking results confirmed the overall correlation between the $IC_{50}$ values and docking scores, indicating the possible use of the modeling for the prediction of biological activity and design of potential inhibitors.

• Journal of the Society of Naval Architects of Korea
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• v.45 no.6
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• pp.710-718
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• 2008

This paper presents a simple and fast approach to plan the arrangement of supports and to do a ship docking analysis. The unpredicted structural damages often happen from a docking works as the size of ships are getting larger and larger. In docking a ship, excessive reaction forces from supports are primary causes of the structural damage. The grillage analysis method is employed to simply calculate only the reaction forces at supports. The grillage modeling strategies are proposed to improve the accuracy. In this paper, the results obtained by the proposed approach are compared with those of the current whole-ship FEA for typical types of ships. Comparison shows that the results from the present grillage approaches are reasonably in a good agreement with the 3-D full F.E one. Finally, an integrated program developed for the ship docking analysis is described.

• Journal of Space Technology and Applications
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• v.1 no.1
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• pp.7-22
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• 2021

In this paper, we describe the results of the docking phase test in the ground environment of the rendezvous/docking technology verification satellite under development for the first time in Korea. rendezvous/docking technology is a high-level technology in space technology, which is also very important for accessing and performing tasks on relative objects in space orbit. In this paper, we describe the ground test results that the chaser finally docks the fixed target using an air bearing device. Based on the thrust control algorithm in the docking phase and the relative object recognition and relative distance estimation algorithm using visual-based sensors validated in this paper, we intend to use them for later expansion to rendezvous/docking algorithms in three-dimensional space for testing in space.

• Natural Product Sciences
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• v.28 no.2
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• pp.45-52
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• 2022

The identification of Plasmodium falciparum enoyl acyl-carrier protein reductase (pfENR) is considered as a potential biological target against malaria. Trema orientalis is considered a rich source of phytochemicals useful in malaria treatment. This study evaluated the in-vitro inhibitory activity of the extract and isolated compounds of T. orientalis leaf; the isolated compounds and the analogues of the most active compound were subjected to in-silico molecular docking studies on pfENR. The methanolic extract of T. orientalis was subjected to repeated chromatographic separation which led to the isolation of some compounds. The isolated compounds from the plant were examined for their antimalarial activity using β-hematin inhibition assay. Virtual screening via molecular docking and ADMET studies were conducted to gain insight into the mechanism of binding of ligand and to identify effective pfENR inhibitors. The isolated compounds and the analogues of the most active isolates were gotten from PubChem library for use in docking study. Hexacosanol and β-sitosterol showed inhibition of the β-hematin formation. The docking results showed that hexacosanol, β-sitosterol and the analogues of β-sitosterol displayed binding energy ranging between -6.1 kcal/mol and -11.6 kcal/mol. Sitosterol glucoside has the highest docking score. Some of the ligands showed more binding affinity than known bioactive compounds used as reference. Analogues of β-sitosterol has been shown to be potential inhibitors of pfENR, therefore, the findings from this study suggest that sitosterol glucoside and ergosterol peroxide could act as antimalarial agents after further lead optimisation investigations.

• The Journal of the Korea Contents Association
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• v.8 no.12
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• pp.441-448
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• 2008

The molecular docking system needs a large amount of computation and requires super-computing power. Since the experiment requires a large amount of time, the experiment is conducted in the distributed environment or in the grid environment. Recently, researches on using parallel GPU of far higher performance than that of CPU in scientific computing have been very actively conducted. CUDA is an open technique by which a parallel GPU programming is made possible. This study proposes the molecular docking system using CUDA. It also proposes algorithm that parallels energy-minimizing-computation. To verify such experiments, this study conducted a comparative analysis on the time required for experimenting molecular docking in general CPU and the time and performance of the parallel GPU-based molecular docking which is proposed in this study.

• Bulletin of the Korean Chemical Society
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• v.29 no.8
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• pp.1479-1484
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• 2008

Protein tyrosine phosphatase (PTP) 1B is the superfamily of PTPs and a negative regulator of multiple receptor tyrosine kinases (RTKs). Inhibition of protein tyrosine phosphatase 1B (PTP1B) has been proposed as a strategy for the treatment of type 2 diabetes and obesity. Recently, it has been reported that amentoflavone, a biflavonoid extracted from Selaginella tamariscina, inhibited PTP1B. In the present study, docking model between amentoflavone and PTP1B was determined using automated docking study. Based on this docking model and the interactions between the known inhibitors and PTP1B, we determined multiple pharmacophore maps which consisted of five features, two hydrogen bonding acceptors, two hydrogen bonding donors, and one lipophilic. Using receptor-oriented pharmacophore-based in silico screening, we searched the biflavonoid database including 40 naturally occurring biflavonoids. From these results, it can be proposed that two biflavonoids, sumaflavone and tetrahydroamentoflavone can be potent allosteric inhibitors, and the linkage at 5',8''-position of two flavones and a hydroxyl group at 4'-position are the critical factors for their allosteric inhibition. This study will be helpful to understand the mechanism of allosteric inhibition of PTP1B by biflavonoids and give insights to develop potent inhibitors of PTP1B.