• Journal of the Korean Society of Marine Environment & Safety
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• v.19 no.3
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• pp.290-301
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• 2013

The docking analysis of a global ship structure is requested to evaluate its structural safety against the reaction forces at supports during docking works inside a dry dock. That problem becomes more important recently as the size of ships is getting larger and larger. The docking supports are appropriately arranged in a dock to avoid their excessive reaction forces which primarily cause the structural damages in docking a ship and, up to now, the structural safety has been assessed against the support arrangement by the finite element analysis (FEA) of a global ship structure. However, it is complicated to establish the finite element model of the ship in the current structural design environment of a shipyard and it takes over a month to finish the work. This paper investigates a simple and fast approach to carry out a ship docking analysis by a simplified grillage model and to assign the docking supports position on the model. The grillage analysis was considered from the motivation that only the reaction forces at supports are sufficient to assess their arrangement. Since the simplified grillage model of the ship cannot guarantee its accuracy quantitatively, modeling strategies are proposed to improve the accuracy. In this paper, comparisons between the proposed approach and three-dimensional FEA for typical types of ships show that the results from the present grillage model have reasonably good agreement with the FEA model. Finally, an integrated program developed for docking supports planning and its evaluation by the proposed approach is briefly described.

• Journal of Astronomy and Space Sciences
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• v.37 no.3
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• pp.187-197
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• 2020

In order to avoid the high cost and high risk of demonstration mission of rendezvous-docking technology, missions using nanosatellites have recently been increasing. However, there are few successful mission cases due to many limitations of nanosatellites like small size, power limitation, and limited performances of sensor, thruster, and controller. To improve the probability of rendezvous-docking mission success using nanosatellite, a rendezvous-docking phase analysis tool for nanosatellites is developed. The tool serves to analyze the relative position and attitude control of the chaser satellite at the docking phase. In this tool, the Model Predictive Controller (MPC) is implemented as a controller, and Extended Kalman Filter (EKF) is adopted as a filter for noise filtering. To verify the performance and effectiveness of the developed tool for nanosatellites, simulation study was conducted. Consequently, we confirmed that this tool can be used for the analysis of relative position and attitude control for nanosatellites in the rendezvous-docking phase.

• Special Issue of the Society of Naval Architects of Korea
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• 2008.09a
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• pp.10-15
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• 2008

The proper docking block arrangement, loading condition and structural reinforcement are required to ensure structural safety of ship, when she is in re-docking and launching for inspection or repair. The large reaction force due to narrow bottom tangent area, heavy weight and ballast loading are occurred at aft body and fore body of ship. Especially, in case of LNGC, the strength evaluation is necessary for cargo hold areas including mid-body because tank hydro test is performed in dry-dock. The analysis results and experiences to confirm structural safety for docking of conventional LNGC$(138K{\sim}151.7K)$ are introduced in this paper.

• 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 Integrative Natural Science
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• v.11 no.1
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• pp.25-29
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• 2018

Protein phosphatase manganese dependent 1D (PPM1D), a Ser/Thr protein phosphatise, play major role in the cancer tumorigenesis of various tumors including neuroblastoma, pancreatic adenocarcinoma, medulloblastoma, breast cancer, prostate cancer and ovarian cancer. Hence, analysis on the structural features required for the formation of PPM1D-inhibitor complex becomes essential. In this study, we have performed molecular docking of SL-175 and -176 and protein-protein docking of CDC5L with PPM1D. On analysing the docked complexes, we have identified the important residues involved in the formation of protein-ligand complex. Research concentrating on these residues could be helpful in understanding the pathophysiology of various tumors related to PPM1D.

• 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.

• Bulletin of the Korean Chemical Society
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• v.29 no.5
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• pp.959-962
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• 2008

We have performed FlexX docking experiments to predict the best docking poses of 5-androst-16-en-3-ol or 5-androst-16-en-3-one to Boar salivary lipocalin (SAL). Since no steroids were found inside of the binding pocket of the X-ray structure of 1GM6, we tried to find docking structures after opening the pocket using the random tweak option implemented in SYBYL. This operation allowed the ligand to enter the pocket. The best poses generated from FlexX were different from the structures reported earlier, which calculated docking poses by manual docking followed by minimization. Analysis of docking poses allowed us to identify pharmacophores. From this information, virtual screening experiments using UNITY were performed. Among six candidates, 3-(3,7-dimethyloct-6-enylamino)propane-1,2-diol (Leadquest code name: 5755) was chosen for further development. Future work will involve synthesis of some derivatives of 5755 and biological experiments if any derivatives can control the biostimulation and improve reproductive efficiency in pigs.

• Journal of Integrative Natural Science
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• v.7 no.3
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• pp.159-165
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• 2014

Pyrazole, hydroxyimino, aldehyde and isoxazole derivatives exhibit a broad spectrum of biological activities such as antimicrobial, anti-inflammatory and antitumor activities. With growing application on their synthesis and bioactivity, chemists and biologists in recent years have considerable attention on the research of these derivatives. In the view of potential importance of these derivatives, we have crystallized few of the derivatives and its report has been published. The present study focuses on docking studies of these derivatives against Phospholipases $A_2$ enzyme. This enzymes has implicated as potential targets for anti-inflammatory drug design. co-crystal structure (PDB ID: 1POE) of $PLA_2$ deposited in Protein Data Bank has been retrieved for docking analysis. Docking studies using Schrodinger's GLIDE reveals that these derivatives shows better binding energy and score in the defined active site. These results may provide a guiding role to design a lead molecule which may reduce inflamation.

• Bulletin of the Korean Chemical Society
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• v.32 no.4
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• pp.1241-1248
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• 2011

Three dimensional quantitative structure-activity relationships (3D-QSARs) between new thiosemicarbazone analogues (1-31) as a substrate molecule and their inhibitory activity against tyrosinase as a receptor were performed and discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods. According to the optimized CoMSIA 2 model obtained from the above procedure, inhibitory activities were mainly dependent upon H-bond acceptor favored field (36.5%) of substrate molecules. The optimized CoMSIA 2 model, with the sensitivity of the perturbation and the prediction, produced by a progressive scrambling analysis was not dependent on chance correlation. From molecular docking studies, it is supposed that the inhibitory activation of the substrate molecules against tyrosinase (PDB code: 1WX2) would not take place via uncompetitive inhibition forming a chelate between copper atoms in the active site of tyrosinase and thiosemicarbazone moieties of the substrate molecules, but via competitive inhibition based on H-bonding.

• Bulletin of the Korean Chemical Society
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• v.32 no.7
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• pp.2433-2442
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• 2011

The three dimensional quantitative structure activity relationship (3D QSAR) models were developed using Comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and docking studies. The fit of Quinazolinone antifolates inside the active site of modeled bovine dihydrofolate reductase (DHFR) was assessed. Both ligand based (LB) and receptor based (RB) QSAR models were generated, these models showed good internal and external statistical reliability that is evident from the $q^2_{loo}$, $r^2_{ncv}$ and $r^2_{pred}$. The identified key features enabled us to design new Quinazolinone analogues as DHFR inhibitors. This study is a building bridge between docking studies of homology modeled bovine DHFR protein as well as ligand and target based 3D QSAR techniques of CoMFA and CoMSIA approaches.