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GIS 기반 지형 정보를 고려한 터널 굴착에 따른 지반침하와 터널 변위 비교 분석
조재은,정예림,송성민,윤지석,하상귀,유한규 사단법인 한국터널지하공간학회 2023 한국터널지하공간학회논문집 Vol.25 No.1
Recently, as the development of underground spaces has become active due to rapid urbanization and population density, interest in the ground behavior according to the construction of underground spaces is increasing. In large cities with high population density and many buildings, ground subsidence has a great impact on structures and there may be a risk of collapse, so the analysis of ground behavior due to underground construction is essential. Previous studies have been conducted on the subsidence pattern of the surface and the deformation of the tunnel when constructing the tunnel, but analysis has rarely been conducted by using actual topographic information. Therefore, this study analyzed the difference in ground behavior between the actual topography and the flat topography. As a result, it was confirmed that ground settlement occurs at higher elevations, such as in mountainous topography, and when the numerical analysis is performed considering topographical information, the crown settlement of the tunnel is up to about approx. It showed a difference of 10 mm, and it was found that the sensitivity was less in the case of displacement of tunnel wall compared to the crown settlement and ground settlement. The numerical analysis considering the actual GIS-based topographic information presented in this study can be used to obtain more accurate surface subsidence data to understand the behavior of the upper structure due to tunnel excavation.
Characterization of Binding Mode for Human Coagulation Factor XI (FXI) Inhibitors
조재은,김준태,Seo Hee Jung,강남숙 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.4
The human coagulation factor XI (FXI) is a serine protease that plays a significant role in blocking of the blood coagulation cascade as an attractive antithrombotic target. Selective inhibition of FXIa (an activated form of factor XI) disrupts the intrinsic coagulation pathway without affecting the extrinsic pathway or other coagulation factors such as FXa, FIIa, FVIIa. Furthermore, targeting the FXIa might significantly reduce the bleeding side effects and improve the safety index. This paper reports on a docking-based three dimensional quantitative structure activity relationship (3D-QSAR) study of the potent FXIa inhibitors, the chloro-phenyl tetrazole scaffold series, using comparative molecular field analysis (CoMFA) and comparative molecular similarity analysis (CoMSIA) methods. Due to the characterization of FXIa binding site, we classified the alignment of the known FXIa inhibitors into two groups according to the docked pose: S1-S2-S4 and S1-S1'- S2'. Consequently, highly predictive 3D-QSAR models of our result will provide insight for designing new potent FXIa inhibitors.
조재은,김준태,Eunae Kim,Young Kwan Ko,강남숙 대한화학회 2013 Bulletin of the Korean Chemical Society Vol.34 No.10
p-Hydroxyphenylpyruvate dioxygenase (HPPD) is a potent herbicide target that is in current use. In this study, we developed a predictive pharmacophore model that uses known HPPD inhibitors based on a theoretically constructed HPPD homology model. The pharmacophore model derived from the three-dimensional (3D) structure of a target protein provides helpful information for analyzing protein-ligand interactions, leading to further improvement of the ligand binding affinity.
조재은,강선영,최정섭,고영관,황인택,강남숙 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.5
In this study, we determined the 3D-structure of Arabidopsis thaliana KAPAS by homology modeling. We then investigated the binding mode of compounds obtained from in-house library using computational docking methods. From the flexible docking study, we achieved high dock scores for the active compounds denoted in this study as compound 3 and compound 4. Thus, we highlight the flexibility of specific residues, Lys 312 and Phe 172, when used in active sites.