• Title/Summary/Keyword: Simulated Annealing

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Solution Structure of a GSK 3$\beta$ Binding Motif, A $AXIN^{pep}$

  • Kim, Yong-Chul;Jung, JIn-Won;Park, Hee-Yong;Kim, Hyun-Yi;Lee, Weon-tae
    • Journal of the Korean Magnetic Resonance Society
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    • v.9 no.1
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    • pp.38-47
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    • 2005
  • Axin is a scaffold protein of the APC/axin/GSK complex, binding to all of the other signalling components. Axin interacts with Glycogen synthase kinase 3$\beta$ (GSK 3$\beta$) and functions as a negative regulator of Wnt signalling pathways. To determine the solution structure of the GSK3$\beta$ binding regions of the axin, we initiated NMR study of axin fragment comprising residues 3$Val^{388} - Arg^{401}$using circular dichroism (CD) and two-dimensional NMR spectroscopy. The CD spectra of 3$axin^{pep}$ in the presence of 30% TFE displayed a standard 3$\alpha$-helical conformation, exhibiting the bound structure of 3$axin^{pep}$ to GSK3$\bata$. On the basis of experimental restraints including $NOE_s$, and $^3J_{HN\alpha} $ coupling constants, the solution conformation of $axin^{pep}$ was determined with program CNS. The 20 lowest energy structures were selected out of 50 final simulated-annealing structures in both water and TFE environment, respectively. The $RMSD_s$ for the 20 structures in TFE solution were 0.086 nm for backbone atoms and 0.195 nm for all heavy atoms, respectively. The Ramachandran plot indicates that the $\varphi$, $\psi$ angles of the 20 final structures is properly distributed in energetically acceptable regions. $Axin^pep$ in aqueous solutions consists of a stable $\alpha$-helix spanning residues form $Glu^{391}$ to $Val^{391} $, which is an interacting motif with GSK3$\beta$.

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Assessment of the Structural Safety for Light-Weight Steel Twin Car-Ferry for Coastal Voyage (연안 항해용 스틸 쌍동 차도선의 경량화 모델 및 구조안전성 평가)

  • Kim, Jae-hyeong;Lee, Sang-eui;Park, Joo-Shin;Lee, Gyeong-Woo;Seo, Kwang-Cheol
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.26 no.4
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    • pp.403-411
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    • 2020
  • This paper discusses the main findings of the development of the twin-hull Car ferry for island freight and passenger transport. The final model had a 19 m wide beam to create enough space for cars on the deck area and thus, enhance the economic feasibility in the market. The vessel had a V-shape with a bulbous bow to minimize the wave-making resistance and the hydrodynamic performance of the ship was verified through computational fluid dynamics. Multi-objective optimization problems of Pareto simulated annealing were used to achieve a weight reduction of approximately 3.9 % and reduce the manufacturing cost. The main results obtained in this study are expected to be useful to engineers and professionals in related industries interested in research on twin catamaran.

Matched-target Model Inversion for the Position Estimation of Moving Targets (정합-표적모델 역산을 이용한 기동 표적의 위치 추정)

  • 장덕홍;박홍배;김성일;류존하;김광태
    • The Journal of the Acoustical Society of Korea
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    • v.22 no.7
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    • pp.562-572
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    • 2003
  • A matched-target model inversion method was developed for a passive sonar to estimate the position of moving targets. Based on the well known matched-field processing in underwater acoustics, the method finds target position by matching the measured target directions and frequencies with the corresponding values of the proposed target model. For the efficient and accurate estimations, the parameter searching was accomplished using a hybrid optimizing method, which first starts with a global optimization such as generic algorithm or simulated annealing then applies a local optimization of a simple down hill algorithm. The suggested method was testified using simulations for three different moving scenarios. The simulation results showed that the method is robust in convergence, even under the situation of over 5 times standard deviation of Gaussian distribution of measured error, and is practical in calculation time as well.

I-V and C-V measurements or fabricated P+/N junction mode in Antimony doped (111) Silicon

  • Jung, Won-Chae
    • Transactions on Electrical and Electronic Materials
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    • v.3 no.2
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    • pp.10-15
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    • 2002
  • In this paper, the electrical characteristics of fabricated p+-n junction diode are demonstrated and interpreted with different theoretical calculations. Dopants distribution by boron ion implantation on silicon wafer were simulated with TRIM-code and ICECaEM simulator. In order to make electrical activation of implanted carriers, thermal annealing treatments are carried out by RTP method for 1min. at $1000^{circ}C$ under inert $N_2$ gas condition. In this case, profiles of dopants distribution before and after heat treatments in the substrate are observed from computer simulations. In the I-V characteristics of fabricated diodes, an analytical description method of a new triangular junction model is demonstrated and the results with calculated triangular junction are compared with measured data and theoretical calculated results of abrupt junction. Forward voltage drop with new triangular junction model is lower than the case of abrupt junction model. In the C-V characteristics of diode, the calculated data are compared with the measured data. Another I-V characteristics of diodes are measured after proton implantation in electrical isolation method instead of conventional etching method. From the measured data, the turn-on characteristics after proton implantation is more improved than before proton implantation. Also the C-V characteristics of diode are compared with the measured data before proton implantation. From the results of measured data, reasonable deviations are showed. But the C-V characteristics of diode after proton implantation are deviated greatly from the calculated data because of leakage currents in defect regions and layer shift of depletion by proton implantation.

Optimization Technique using Ideal Target Model and Database in SRS

  • Oh, Seung-Jong;Suh, Tae-Suk;Song, Ju-Young;Choe, Bo-Young;Lee, Hyoung-Koo
    • Proceedings of the Korean Society of Medical Physics Conference
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    • 2002.09a
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    • pp.146-149
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    • 2002
  • The aim of stereotactic radiosurgery(SRS) is to deliver a high dose to a target region and a low dose to critical organ through only one or a few irradiation. To satisfy this aim, optimized irradiating conditions must be searched in the planning. Thus, many mathematical methods such as gradient method, simulated annealing and genetic algorithm had been proposed to find out the conditions automatically. There were some limitations using these methods: the long calculation time, and the difficulty of unique solution due to the different shape of tumor. In this study, optimization protocol using ideal models and data base was proposed. Proposed optimization protocol constitutes two steps. First step was a preliminary work. Some possible ideal geometry shapes, such as sphere, cylinder, cone shape or the combination, were assumed to approximate the real tumor shapes. Optimum variables such as isocenter position or collimator size, were determined so that the high dose region could be shaped to fit ideal models with the arrangement of multiple isocenter. Data base were formed with those results. Second, any shaped real targets were approximated to these models using geometry comparison. Then, optimum variables for ideal geometry were chosen from the data base predetermined, and final parameters were obtained by adjusting these data. Although the results of applying the data base to patients were not superior to the result of optimization in each case, it can be acceptable as a starting point of plan.

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NMR Studies on Turn Mimetic Analogs Derived from Melanocyte-stimulating Hormones

  • Cho, Min-Kyu;Kim, Sung-Soo;Lee, Myung-Ryul;Shin, Joon;Lee, Ji-Yong;Lim, Sung-Kil;Baik, Ja-Hyun;Yoon, Chang-Ju;Shin, In-Jae;Lee, Weon-Tae
    • BMB Reports
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    • v.36 no.6
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    • pp.552-557
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    • 2003
  • Oligomers with $\alpha$-aminooxy acids are reported to form very stable turn and helix structures, and they are supposed to be useful peptidomimetics for drug design. A recent report suggested that homochiral oxa-peptides form a strong eight-member-ring structure by a hydrogen bond between adjacent aminooxy-acid residues in a $CDCl_3$ solution. In order to design an $\alpha$-MSH analog with a stable turn conformation, we synthesized four tetramers and one pentamer, based on $\alpha$-MSH sequence, and determined the solution structures of the molecules by two-dimensional NMR spectroscopy and simulated annealing calculations. The solution conformations of the three peptidomimetic molecules (TLV, TDV, and TLL) in DMSO-$d_6$ contain a stable 7-membered-ring structure that is similar to a $\gamma$-turn in normal peptides. Newly-designed tetramer TDF and pentamer PDF have a ball-type rigid structure that is induced by strong hydrogen bonds between adjacent amide protons and carbonyl oxygens. In conclusion, the aminooxy acids, easily prepared from natural or unnatural amino acids, can be employed to prepare peptidomimetic analogues with well-defined turn structures for pharmaceutical interest.

Conformation of cyclo-[Gln-Trp-Phe- $\beta$Ala-Leu-Met], a NK-2 Tachykinin Receptor Antagonist (NK-2의 Antagonist인 cyclo-[Gln-Trp-Phe- $\beta$Ala-Leu-Met]의 형태에 관한 연구)

  • Ha, Jong Myung
    • Journal of the Korean Chemical Society
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    • v.43 no.5
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    • pp.540-546
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    • 1999
  • Solution conformation of cyclo-($Gln^1-Trp^2-Phe^3-{\beta}Ala^4-Leu^5-Met^6$), new NK-2 antagonist in dimethyl sulfoxide solution, has been determined by the use of two-dimensional nuclear magnetic resonance spectroscopy combined with simulated annealing calculations. The peptide exhibited converged structures with the atomic root-mean-square difference for the backbone atoms ($N,\;C^{\alpha},\;C'$) of all residues being 0.02${\AA}$ in the 25 annealed structures. The analysis of the structures indicated that the cyclic peptide has three intramolecular hydrogen bonds between $Met^6NH$ and ${\beta}Ala^4CO$, ${\beta}Ala^4NH$ and $Met^6CO$, $Phe^3NH$ and $Met^6CO$, and contain a type-I ${\beta}$-turn with Gln and Trp and ${\gamma}$-turn with Leu. The addition of an extra methylene group to Gly, i.e. P-Ala residue, may relax some unfavorable restraints in the cyclic backbone structure, hence enabling an additional hydrogen bond, which results in stabilizing one conformation.

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Gravity, Magnetic and VLF explorations in the ubong industrial waste landfill, Pohang (포항 유봉산업 폐기물 매립지에서의 중력, 자력, VLF 탐사)

  • 권병두
    • Economic and Environmental Geology
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    • v.32 no.2
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    • pp.177-187
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    • 1999
  • Gravity, magnetic and VLF surveys were conducted to investigat the structural stability and hazards associated with the Ubong landfill in Pohang City, which has been built to dump industrial wastes. In 1994, the collapse of a bank happened in the 6th landfill site due to sudden heavy rain, and a large quantity of waste materials flowed out to the nearby landfill sites, factories and roads. We used $10{\times}10m$ resolution DEM data for gravity reductions. The maximum variation of the terrain effect in the survey area is about 0.5 mgal and the terrain effect is large in the vicinity of bank boundary. The Bouguer gravity anomaly map shows the effect due to the variatino of thickness and type of waste materials. The small negative gravity anomaly increases from the 9th site to the 6th site. The small negative gravity anomaly of the 9th site reflects the relatively shallow dumping depth of average 14.5 m in this site and increased density of waste materials by the repeated stabilization process of soil overlaying. The 6th site is located at the center of the former valley and rainfall and groundwater are expected to flow from south-east to north-west. Therefore, considering the previous accident of mixing waste and bank materials at the north-west boundary of the landfill, there may be some environmental problems of leakage of contaminated water and bank stability. The complex inversion technique using Simulated annealing and Marquardt-Levenberg methods was applied to calculate three-dimensional density distribution from gravity data. In the case of 6th site, it is apparent that the landfill had been dumped in four sectors. However, most part of the 9th site and showed that high magnetic industrial wastes were concentrated in the 6th site. The result of magnetic survey showing low magnetic anomalies along the boundaries of two sites is similar to that of gravity data. The VLF data also reveals four divided sectors in the 6th site, and overall anomaly trend indicates the directio of former valley.

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Waveform inversion of shallow seismic refraction data using hybrid heuristic search method (하이브리드 발견적 탐색기법을 이용한 천부 굴절법 자료의 파형역산)

  • Takekoshi, Mika;Yamanaka, Hiroaki
    • Geophysics and Geophysical Exploration
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    • v.12 no.1
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    • pp.99-104
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    • 2009
  • We propose a waveform inversion method for SH-wave data obtained in a shallow seismic refraction survey, to determine a 2D inhomogeneous S-wave profile of shallow soils. In this method, a 2.5D equation is used to simulate SH-wave propagation in 2D media. The equation is solved with the staggered grid finite-difference approximation to the 4th-order in space and 2nd-order in time, to compute a synthetic wave. The misfit, defined using differences between calculated and observed waveforms, is minimised with a hybrid heuristic search method. We parameterise a 2D subsurface structural model with blocks with different depth boundaries, and S-wave velocities in each block. Numerical experiments were conducted using synthetic SH-wave data with white noise for a model having a blind layer and irregular interfaces. We could reconstruct a structure including a blind layer with reasonable computation time from surface seismic refraction data.

A Method of Client-Server Assignment for Minimizing the CPU Power Consumption of Servers in a Game Server Cluster (게임 서버 클러스터에서의 서버의 CPU 전력 소모 최소화를 위한 클라이언트-서버 배정 방법)

  • Kim, Sangchul;Lee, Sunghae
    • Journal of Korea Game Society
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    • v.17 no.4
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    • pp.137-148
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    • 2017
  • Since the power consumption of data centers is large and computer serves take a large portion of it, there have been much research on the power saving of servers in various ways recently. Among the units of severs CPU is one of major power consuming units. In this paper, a method of client-server assignment for minimizing the CPU power consumption of servers in a game server cluster is proposed. We model the client-server assignment problem as an optimization problem, and find a solution to the problem using a simulated annealing-based technique. One of major features of our method is to select a proper operating frequency according to the amount of load on a server. The selection of a lower frequency in case of low load will result in reducing power consumption. To our survey, little research on client-server assignment in consideration of power consumption has been carried out.