• Bulletin of the Korean Chemical Society
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• v.34 no.12
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• pp.3553-3558
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• 2013

The three dimensional-quantitative structure activity relationship (3D-QSAR) studies on chemical features of pyridine-2-amines in the external region of c-Met active site (ER chemical features of pyridine-2-amines) were conducted by docking, comparative molecular field analysis (CoMFA), and topomer CoMFA methods. The CoMFA model obtained the partial least-squares (PLS) statistical results, cross-validated correlation coefficient ($q^2$) of 0.703, non cross-validated correlation coefficient ($r^2$) of 0.947 with standard error of estimate (SEE) of 0.23 and the topomer CoMFA obtained $q^2$ of 0.803, $r^2$ of 0.940, and SEE of 0.24. Further, the test set was applied to validate predictive abilities of models, where the predictive $r^2$ ($r{^2}_{pred}$) for CoMFA and topomer CoMFA models were 0.746 and 0.608, respectively. Each contribution of ER chemical features of pyridine-2-amines to the inhibitory potency showed correlation coefficients, $r^2$ of 0.670 and 0.913 for two core parts, 3-(benzo[d]oxazol-2-yl)pyridine-2-amine and 3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy) pyridine-2-amine, respectively, with corresponding experimental $pIC_{50}$.

• The KIPS Transactions:PartD
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• v.19D no.1
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• pp.21-28
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• 2012

Predication of protein interaction sites for monomer structures can reduce the search space for protein docking and has been regarded as very significant for predicting unknown functions of proteins from their interacting proteins whose functions are known. In the other hand, the prediction of interaction sites has been limited in crystallizing weakly interacting complexes which are transient and do not form the complexes stable enough for obtaining experimental structures by crystallization or even NMR for the most important protein-protein interactions. This work reports the calculation of 3D surface patches of complex structures and their properties and a machine learning approach to build a predictive model for the 3D surface patches in interaction and non-interaction sites using support vector machine. To overcome classification problems for class imbalanced data, we employed an under-sampling technique. 9 properties of the patches were calculated from amino acid compositions and secondary structure elements. With 10 fold cross validation, the predictive model built from SVM achieved an accuracy of 92.7% for classification of 3D patches in interaction and non-interaction sites from 147 complexes.

• Journal of Life Science
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• v.26 no.2
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• pp.253-258
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• 2016

In this study, nano-micelled curcumin was produced with natural sea salt with a view to comparing the in silico molecular binding affinity of pure curcumin compound to the active site of transthyretin. Using an optical light microscope and an electron microscope, it was found that the structure of the surface and the cross-section of nano-micelled curcumin was significantly different from natural sea salt. In particular, the crystal structure and nano-components in the nano-micelled curcumin were united, and the layer was more strongly stabilized than untreated salts. In the virtual 3D structure, in silico molecular docking study, the ligand binding affinity of nano-micelled curcumin to the transthyretin active site was found to be higher than that of pure curcumin. In addition, a nano-micelled curcumin formula interacted with more amino acid residues of transthyretin domains. The pharmacophore feature of the nano-micelled curcumin also showed more condensed and constrained features than normal curcumin. These results suggest that nano-micelled curcumin may effectively bind to and stabilize transthyretin, thereby regulating transthyretin-related physiological diseases. Collectively, the nano-micelled curcumin process suggests that normal curcumin can be modified more efficiently into the novel bio-functional chemical formula to stabilize the transthyretin structure. Therefore, the nano-micelled curcumin process can be applied to the field of the regulation of Alzheimer's disease.

• Journal of Digital Convergence
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• v.17 no.5
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• pp.145-155
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• 2019

The Healthcare supply chain management has recently attracted attention as a critical tool to improve service quality and reduce healthcare operational cost. Improving large hospital supply chain performance has become increasingly important as healthcare organizations strive to improve the service quality, while reducing the ever-increasing healthcare cost. This paper explores the strategic areas where the traditional supply chain management may enhance the overall performance of the large hospitals. Based on the literature review and relevant case analysis, this paper argues that the visibility, information sharing and standardization are the critical factors for deploying the supply chain principles, and also proposes the supply chain framework for efficient planning and execution, the use of RFID-enabled system for the end-to-end traceability of medical products, and cross-docking system for minimizing the inventory level in the hospital supply chain. Implications of the study findings are discussed.

• Journal of Korea Port Economic Association
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• v.30 no.3
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• pp.231-257
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• 2014

In general, furniture industry, with its high foreign dependency, has serious logistics issues that are commonly raised in such countries as Korea, China and Japan. This leads to my different possibilities & ways of rationalizing the logistics systems that utilize port hinterlands. Thus the purpose of the present paper is to create new logistics systems which will work effectively across the three countries. In this research study, we came up with 2 logistics models in which the port hinterland of Busan serves as the distribution center for furniture industry, and the models were suggested as the cooperative logistics business systems for the North-east asian region. In the proposed models, 'Busan furniture logistics center' has the dual functions of 'the cross-docking center from China to Japan' and 'the assembly & delivery center for furniture imported by Japan'. To have this logistics business center materialized, we propose that policy-level supports from the relevant port authorities be provided in the following three aspects: overseas investment promotion focused on the furniture industry of Japan, protection & enhancement of competitiveness for the port of Busan, and uilization plans for the new port hinterland of the city.