• Title/Summary/Keyword: Probabilistic Method.

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Investigation of the Protonated State of HIV-1 Protease Active Site

  • Nam, Ky-Youb;Chang, Byung-Ha;Han, Cheol-Kyu;Ahn, Soon-Kil;No, Kyoung-Tai
    • Bulletin of the Korean Chemical Society
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    • v.24 no.6
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    • pp.817-823
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    • 2003
  • We have performed ab initio calculation on the active site of HIV-1 protease. The FEP method was used to determine the binding free energy of four different of protonated states of HIV-1 protease with inhibitor. The structure of the active site and hole structure was taken from the X-ray crystallographic coordinates of the C₂ symmetric inhibitor A74704 protease bound. The active site was modeled with the fragment molecules of binding pocket, acetic acid/ acetate anion (Asp25, Asp125), formamide (amide bond of Thr26/Gly27, Thr126/ Gly127), and methanol as inhibitor fragment. All possibly protonated states of the active site were considered, which were diprotonated state (0, 0), monoprotonated (-1, 0),(0, -1) and diunprotonated state (-1, -1). Once the binding energy Debind, of each model was calculated, more probabilistic protonated states can be proposed from binding energy. From ab-initio results, the FEP simulations were performed for the three following mutations: Ⅰ) Asp25 … Asp125 → AspH25 … Asp125, ⅱ) Asp25 … Asp125 → Asp25 … AspH125, ⅲ) AspH25 … Asp125 → AspH25 … AspH125. The free energy difference between the four states gives the information of the more realistic protonated state of active site aspartic acid. These results provide a theoretical prediction of the protonation state of the catalytic aspartic residues for A74707 complex, and may be useful for the evaluation of potential therapeutic targets.

Seismic Vulnerabilities of a Multi-Span Continuous Bridge Considering the Nonlinearity of the Soil (지반 비선형성을 고려한 다경간 연속교의 지진취약도)

  • Sun, Chang-Ho;Lee, Jong-Seok;Kim, Ick-Hyun
    • Journal of the Earthquake Engineering Society of Korea
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    • v.14 no.3
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    • pp.59-68
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    • 2010
  • Seismic performances of existing structures should be assessed with more accuracy for cost-effective retrofits. Existing bridges are assessed by the current guidelines in which a simple method has been adapted considering the technical level of engineers of the historical time of construction. Recently many probabilistic approaches have been performed to reflect the uncertainties of seismic input motions. Structures are modeled frequently with the neglection of soil foundations or modeled occasionally with elastic soil spring elements to consider the effect of the soil on the structural response. However, soil also shows nonlinearity under seismic events, so this characteristic should be reflected in order to obtain a more accurate assessment. In this study, a 6-span continuous bridge has been analyzed under various seismic events, in which the soil was represented by equivalent linear spring elements having different properties according to the intensities of the input motions experienced. The seismic vulnerabilities with respect to the failure of piers and the dropping of the super-structure were evaluated on the basis of the analysis results.

Permeability Evaluation of OPC and GGBFS Concrete with Cold Joint (콜드조인트를 가진 OPC 및 GGBFS 콘크리트의 투수성 평가)

  • Choi, Se-Jin;Kim, Seong-Jun;Moon, Jin-Man;Kwon, Seung-Jun
    • Journal of the Korea Concrete Institute
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    • v.27 no.4
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    • pp.435-441
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    • 2015
  • Concrete, as a porous media, has permeability and it is considered as a major parameter for durability evaluation. Cold joint caused by delayed placing of concrete accelerates water permeation and intrusion of harmful ions. In the paper, concrete specimens containing GGBFS (Ground Granulated Blast Furnace Slag) and OPC (Ordinary Portland Cement) are prepared with cold joint section, and water permeability and water flow at the age of 91 days are measured for 2 weeks. Sound concrete with GGBFS shows decreased permeability to 89% for sound concrete with OPC and 0.86 of decreasing ratio is evaluated in GGBFS concrete with cold joint. Through WPT (Water Penetration Test), the effects of mineral admixture and cold joint on water permeability are evaluated, and variation in water behavior via cold joint is analyzed through probabilistic method as well.

Remaining Fatigue Life Evaluation of Steel Railroad Bridge (강철도교의 잔존피로수명 평가)

  • Kim, Sang Hyo;Lee, Sang Woo;Mha, Ho Seong;Kim, Jong Hak
    • Journal of Korean Society of Steel Construction
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    • v.11 no.4 s.41
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    • pp.329-338
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    • 1999
  • A systematic procedure to evaluate fatigue damages and to predict remaining fatigue lives is introduced for a steel railway bridge. Fatigue damages are evaluated by using the currently available fatigue damage theory. Fatigue lives with the condition of fatigue crack initiation are estimated by the probabilistic approach based on the reliability theory as well as the simplified procedure. A equivalent deterministic procedure is also suggested to assess the remaining fatigue life under various traffic conditions. Numerical simulations are used to assess dynamic stress histories with correction factors. Loading models are obtained from the passenger volume data. Train coincidences are also considered. Based on the results, the fatigue life is found to be underestimated by without considering the coincidence of trains on the bridge. The simplified method proposed in this study are found to yield approximately the same results as the systematic procedure.

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A method of discharge estimation based on probabilistic velocity distribution function (확률론적 유속분포 공식을 활용한 유량 산정 방법)

  • Lee, Chan-Joo;Kim, Dong-Gu;Kwon, Seong-Il;Kim, Yong-Jeon
    • Proceedings of the Korea Water Resources Association Conference
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    • 2009.05a
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    • pp.1781-1786
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    • 2009
  • 최근 들어 하천의 자동유량측정에 많이 활용되고 있는 고정식 음파도플러유속계는 여러 개의 셀 유속 자료를 제공한다. 이러한 유속 자료들은 단면의 특정 위치에 고정되어 있어 수심 변화에 따라 변화하는 최대유속 구역을 직접 측정할 수 없으므로 최대유속과 평균유속 사이의 단순한 관계를 활용하여 유량 산정을 하기는 곤란하다. 다만, 단면상의 여러 지점에 대한 유속 측정치를 얻을 수 있다는 점을 이용하여 모의된 유속분포와 결부하면 유량을 산정하는데 활용 가능하다. 본 연구에서는 Chiu(1988)가 제안한 단면의 무차원적 유속분포를 모의하는 확률론적 유속분포 공식과 고정식 ADVM의 유속자료를 활용하여 유량을 산정하는 방법을 검토하였다. 유속분포 공식의 주요 매개변수 중에서 최대유속과 평균유속의 관계를 나타내는 �� 은 ADVM이 설치된 단면 및 인접 단면에서 ADCP로 측정한 자료를 이용하여 도출하였으며, $\beta$와 h는 국내 하천에 대한 자료 분석을 통해 얻어진 값을 사용하였다. 2006년부터 2007년까지의 유량이 비교적 안정된 11개 케이스의 댐 방류량 조건 및 동일한 지점에서 개발된 유속지수법 유량과 상호 비교하였으며, 그 결과 댐방류량 대비 상대오차가 평균 6.44%로 유속지수법의 7.43%에 비해 약간 크지만 유량 산정이 비교적 정확하게 이루어짐을 확인할 수 있었다. 또한 연속 유량 측정 결과 여수로 방류량에 대해서 약 10.6%의 오차를 나타내고 있었다. 한편, 보다 고유속 구역을 측정할 목적으로 2008년에 기존의 ADVM에 추가로 1.25m 높은 위치에 홍수 측정을 위한 저주파 ADVM을 설치하여 운영할 경우 2008년의 4개 케이스에 대해 댐방류량 대비 2.1%의 상대오차를 나타내어 3.9%의 유속지수법에 비해 약간의 개선효과가 있었으며, 이 역시 유량을 비교적 잘 산정하는 것으로 나타났다.

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Automatic fire detection system using Bayesian Networks (베이지안 네트워크를 이용한 자동 화재 감지 시스템)

  • Cheong, Kwang-Ho;Ko, Byoung-Chul;Nam, Jae-Yeal
    • The KIPS Transactions:PartB
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    • v.15B no.2
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    • pp.87-94
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    • 2008
  • In this paper, we propose a new vision-based fire detection method for a real-life application. Most previous vision-based methods using color information and temporal variation of pixel produce frequent false alarms because they used a lot of heuristic features. Furthermore there is also computation delay for accurate fire detection. To overcome these problems, we first detected candidated fire regions by using background modeling and color model of fire. Then we made probabilistic models of fire by using a fact that fire pixel values of consecutive frames are changed constantly and applied them to a Bayesian Network. In this paper we used two level Bayesian network, which contains the intermediate nodes and uses four skewnesses for evidence at each node. Skewness of R normalized with intensity and skewnesses of three high frequency components obtained through wavelet transform. The proposed system has been successfully applied to many fire detection tasks in real world environment and distinguishes fire from moving objects having fire color.

Neural Predictive Coding for Text Compression Using GPGPU (GPGPU를 활용한 인공신경망 예측기반 텍스트 압축기법)

  • Kim, Jaeju;Han, Hwansoo
    • KIISE Transactions on Computing Practices
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    • v.22 no.3
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    • pp.127-132
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    • 2016
  • Several methods have been proposed to apply artificial neural networks to text compression in the past. However, the networks and targets are both limited to the small size due to hardware capability in the past. Modern GPUs have much better calculation capability than CPUs in an order of magnitude now, even though CPUs have become faster. It becomes possible now to train greater and complex neural networks in a shorter time. This paper proposed a method to transform the distribution of original data with a probabilistic neural predictor. Experiments were performed on a feedforward neural network and a recurrent neural network with gated-recurrent units. The recurrent neural network model outperformed feedforward network in compression rate and prediction accuracy.

A Study of Statistical Analysis of Rock Joint Size and Intensity by Stereological Approach (입체해석학적 접근법에 의한 암반 절리 크기 및 밀집도의 통계적 분석에 관한 연구)

  • 류동우;김영민;이희근
    • Tunnel and Underground Space
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    • v.12 no.1
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    • pp.10-18
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    • 2002
  • Rock joint system makes a heavy effect on the behavior of rock structures. The definition of a 3D rock joint system is very important in 2D or 3D numerical analysis for the prediction of the behavior of a discontinuous rock mass. To enhance the reality of a 3D definition of rock joint system, it is essential to estimate the unbiased statistics of basic geometric attributes of rock joints. In this study, we have proposed the statistical analysis and derived the related equations for an estimation of statistics of joint size and intensity. Geometry of rock joints in 3 dimensional space can be defined by the aggregate of location, size, orientation and intensity. The dimensional limit of survey method and its data makes 3D geometric attributes probabilistic. In the estimation of statistics of joint size, we have discussed the technique to correct the bias from a dimensional limit and derived the equation of 3D joint intensity by stereological approaches.

Using Skip Lists for Managing Replying Comments Posted on Internet Discussion Boards (스킵리스트를 이용한 인터넷 토론 게시판 댓글 관리)

  • Lee, Yun-Jung;Kim, Eun-Kyung;Cho, Hwan-Gue;Woo, Gyun
    • The Journal of the Korea Contents Association
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    • v.10 no.8
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    • pp.38-50
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    • 2010
  • In recent years, the number of users who are actively express their opinions about Internet articles is more and more growing up, as the use of cyber community such as weblog or Internet discussion board increases. In fact, it is not difficult to find an article with hundreds of comments in famous Internet discussion boards. Most of the weblogs or Internet discussion boards present comments in the form of list and do not yet support even the basic operation such as searching comments. In this paper, we analysed large sets of comments in Internet discussion board named AGORA. It was found that from the result that the distribution of comment writers follows power-law. So we suppose a new search structure of comments using skip lists. The main idea of our approach is to reflect the probabilistic distribution properties of the commenters following the power-law to the data structure. Our empirical results show that the proposed method performs more efficient in searching the nodes with fewer number of comparison operations than logN, which is the theoretical time complexity of general indexed structure such as B-trees or typical skip lists.

Fire-Flame Detection using Fuzzy Finite Automata (퍼지 유한상태 오토마타를 이용한 화재 불꽃 감지)

  • Ham, Sun-Jae;Ko, Byoung-Chul
    • Journal of KIISE:Software and Applications
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    • v.37 no.9
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    • pp.712-721
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    • 2010
  • This paper proposes a new fire-flame detection method using probabilistic membership function of visual features and Fuzzy Finite Automata (FFA). First, moving regions are detected by analyzing the background subtraction and candidate flame regions then identified by applying flame color models. Since flame regions generally have continuous and an irregular pattern continuously, membership functions of variance of intensity, wavelet energy and motion orientation are generated and applied to FFA. Since FFA combines the capabilities of automata with fuzzy logic, it not only provides a systemic approach to handle uncertainty in computational systems, but also can handle continuous spaces. The proposed algorithm is successfully applied to various fire videos and shows a better detection performance when compared with other methods.