• 한국정밀공학회:학술대회논문집
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• 한국정밀공학회 2012년도 춘계학술대회 논문집
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• pp.573-574
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• 2012

• Bioinformatics and Biosystems
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• 제1권2호
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• pp.103-108
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• 2006

단백질-리간드 결합 예측은 새로운 신약 선도 물질을 발견하고 최적화 하는데 있어서 중요한 도구로 널리 사용되고 있다. 결합의 정확도는 일반적으로 각 결합 계산에서 사용되는 평가 함수(scoring function)에 따라 결정된다. 평가 함수는 그 함수가 가지고 있는 기력 가정에 따라 force-field based, empirical, knowledge-based의 세 가지로 분류할 수 있다. 이 중에서 force-field based 함수는 물리적인 상호작용을 가장 구체적으로 기술한다. 그러나 현재 제시된 대부분의 force-field based 함수들은 분산력과 정전기적인 힘 등의 에너지만을 고려할 뿐 엔트로피의 영향을 포함하지 않는 단점을 가지고 있다. 본 논문에서는 force-field based 평가 함수를 이용하는 경우 기존의 도킹 프로그램이 생성해 내는 구조 정보를 활용하여, 엔트로피를 고려할 수 있는 방법을 제시한다. 또한 이 방법을 DOCK 평가 함수에 적용시켰을 때 decoy discrimination에서 향상된 결과를 얻어낼 수 있음을 보였다. 이는 더 정확한 도킹 계산이 가능함을 의미한다.

• 한국기계가공학회지
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• 제18권10호
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• pp.75-82
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• 2019

Few studies have been conducted regarding theoretical turning force modelling while considering cutting constant. In this paper, a new cutting force modelling technique was suggested which considers the specific cutting force coefficients for turning. The specific cutting force is the multiplication of the cutting force coefficient and uncut chip thickness. This parameter was used for experimental modelling and prediction of theoretical cutting force. These coefficients, which can be obtained by fitting measured average forces in several conditions, were used for the formulation of three theoretical cutting forces for turning. The cutting force mechanism was verified in this research and its results were compared with each of the experimental and theoretical forces. The deviation of force was incurred by a small amount in this model and the predicted force considering feed rate, nose radius, and radial depth shows a physical behavior in main force, normal force, and feeding force, respectively. Therefore, this modelling technique can be used to effectively predict three turning forces with different tool geometries considering cutting force coefficients.

• Bulletin of the Korean Chemical Society
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• 제26권5호
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• pp.769-775
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• 2005

An efficiency of Monte Carlo (MC) docking simulations was examined for the prediction of chiral discrimination by cyclodextrins. Docking simulations were performed with various computational parameters for the chiral discrimination of a series of 17 enantiomers by $\beta$-cyclodextrin ($\beta$-CD) or by 6-amino-6-deoxy-$\beta$-cyclodextrin (am-$\beta$-CD). A total of 30 sets of enantiomeric complexes were tested to find the optimal simulation parameters for accurate predictions. Rigid-body MC docking simulations gave more accurate predictions than flexible docking simulations. The accuracy was also affected by both the simulation temperature and the kind of force field. The prediction rate of chiral preference was improved by as much as 76.7% when rigid-body MC docking simulations were performed at low-temperatures (100 K) with a sugar22 parameter set in the CHARMM force field. Our approach for MC docking simulations suggested that the conformational rigidity of both the host and guest molecule, due to either the low-temperature or rigid-body docking condition, contributed greatly to the prediction of chiral discrimination.

• 한국해양공학회지
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• 제28권5호
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• pp.396-403
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• 2014

This paper considered the prediction of the tension force in the design of a TLP tendon, particularly focusing on the springing problem. Springing is an important parameter that exerts a large tension in special cases. It is a nonlinear phenomenon and requires the 2nd-order wave loads to solve. In this paper, a new prediction method for springing and the resultant extreme tension on the tendon of a TLP is introduced. Using the 2nd-order response function computed using the commercial program WADAM, the probability density function of the 2nd-order tension is obtained from an eigenvalue analysis using a quadratic transfer function and sea spectra. A new method is then suggested to predict the extreme tension loads with respect to the number of occurrences. It is shown that the PDF suggested in this study properly predicts the extreme tension in comparison with the time histories of the 2nd-order tension. The expected tension force is larger than that from a linear analysis in the same time windows. This supports the use of the present method to predict the tension due to springing.

• 대한기계학회논문집A
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• 제21권7호
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• pp.1030-1041
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• 1997

The control model in the tandem cold rolling mill consists of many mathematical theories and is used to calculate the reference values such as the roll gap and the rolling speed for good operation of rolling mill. But, the control model used presently has a problem causing inaccurate prediction of the rolling force. By the parameter identification, it was found that the main factor causing inaccurate prediction of the rolling force was incorrect modeling of the friction coefficient and the flow stress. To get rid of the erroneous factor new adaptive schemes are suggested in this work. Those are a long-time adaptation by the iterative least-square method and a short-time adaptation by the recursive weighted least-square method respectively. The new equations for the friction coefficient and the flow stress are derived by applying the suggested adaptive algorithms. Through the on-line test in an actual mill, it is proved that the rolling force predicted by the new equations is more accurate than the one by the existing equations ever used.

• 한국생산제조학회지
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• 제8권2호
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• pp.126-136
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• 1999

We studied on crack growth retardation in single overloading condition. Crack tip branching which as the second mechanism on crack growth retardation was examined. Crack tip branching was observed to kinked type and forked type. It was found that the branching angle range was from 25 to 53 degree. The variations of crack driving force with branching angle were calculated with finite element method The variation of {{{{ KAPPA _I}}}}, {{{{ KAPPA _II}}}} and total crack driving force(K) were examined respectively So {{{{ KAPPA _I}}}}, {{{{ KAPPA _II}}}} and K mean to mode I, II and total crack driving force. Present model(Willenborg's model) for crack growth retardation prediction was modified to take into consideration the effects of crack tip branching When we predicted retardation with modified model. it was confirmed that predicted and experimental results coincided with well each other.

• Computers and Concrete
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• 제21권1호
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• pp.75-85
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• 2018

To improve the design equation for the evaluation of the bursting force in the post-tensioned anchorage zone, this paper presents the analyses and design of the post-tensioned (PT) anchorage zone on the basis of three dimensional (3D) finite element (FE) analyses. The structural behavior was investigated through linear elastic finite element analyses upon consideration of the change in design parameters such as the bearing plate size, the eccentricity, and the tendon inclination. Moreover, consideration of the duct hole, which causes an increase of the bursting stress with a change in its distribution along the anchorage zone as well, is emphasized. Since that an exact prediction of the bursting force is the primary interest in design practice, additional parametric analyses are carried out to evaluate the relative contribution of all design parameters in determining the bursting force, and a comparison with the design guidelines mentioned in AASHTO-LRFD has been provided. Finally, an improved design guideline that takes into account the influence by the duct hole is suggested.

• 한국소성가공학회:학술대회논문집
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• 한국소성가공학회 2005년도 추계학술대회 논문집
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• pp.87-90
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• 2005

The drawbead is used to control the material flow into the die and increase the forming quality during the binder wrap process and the stamping process in the sheet metal forming. Drawbead restraining force (DBRF) is controlled by geometrical parameters and influenced by process parameters such as friction coefficient and blank thickness. In order to inspect the effect of process parameters, parameter studies are performed with the variation of parameters using finite element model of drawbead which is utilized reliably for the calculation of the drawbead restraining force. Drawbead analysis is carried out with 2-D plane-strain element and 3-D shell element. After the verification of the accuracy of the drawbead model with 3-D shell element, it is utilized to the prediction and the investigation of the effect of process parameters. The result of parameter studies can be utilized to the die design in the tryout stage.

• 한국해양환경ㆍ에너지학회지
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• 제17권3호
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• pp.198-204
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• 2014

바다를 항해하는 선박은 수면 상부 선체가 공기저항을 받게 된다. 이 공기저항은 수면 상부 선체의 형상, 선속, 풍속 그리고 풍향의 영향을 받는다. 공기저항을 추정하는 실험적인 또는 통계적인 방법은 사고 선박의 예인력을 계산하는 중요한 절차 가운데 하나이다. 본 논문에서는 수면 상부 선체의 투영면적과 선속과 풍속과 풍향을 변수로 사용하여, 실험 또는 통계 분석 방법으로 공기저항을 간편하게 추정하는 방법을 보여주었다. 이 방법들은 기존의 사고선박 예인력 추정을 위한 전산 프로그램에 적용하였다.