• Proceedings of the Korean Society of Precision Engineering Conference
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• 2012.05a
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• pp.573-574
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• 2012

• Bioinformatics and Biosystems
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• v.1 no.2
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• pp.103-108
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• 2006

Computational prediction of protein-ligand binding has been widely used as a tool to discover lead compounds fur new drugs. Prediction accuracy is determined in part by the scoring function used in docking calculations. Diverse scoring functions are available, and these can be classified into force-field based, empirical, and knowledge-based functions depending upon the basic assumptions made in development. Among these, force-field based functions consider physical interactions the most in detail. However, the force-field based functions have the drawback of not including the entropic effect while considering only the energy contribution such as dispersion or electrostatic forces. In this article, a method to take into account of the entropic effect using the colony energy is suggested when force-field based scoring functions is used by extracting conformational information obtained from the pre-existing docking program. An improved result for decoy discrimination is illustrated when the method is applied to the DOCK scoring function, and this implies that more accurate docking calculation is possible.

• Journal of the Korean Society of Manufacturing Process Engineers
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• v.18 no.10
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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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• v.26 no.5
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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.

• Journal of Ocean Engineering and Technology
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• v.28 no.5
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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.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.21 no.7
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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.

• Journal of the Korean Society of Manufacturing Technology Engineers
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• v.8 no.2
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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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• v.21 no.1
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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.

• Proceedings of the Korean Society for Technology of Plasticity Conference
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• 2005.10a
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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.

• Journal of the Korean Society for Marine Environment & Energy
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• v.17 no.3
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• pp.198-204
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• 2014

Ships sailing the seas encounter air resistance. The air resistance depends on the shape of the above-water hull, the ship speed, the wind speed and wind direction. The experimental or statistical methods which are used to predict the air resistance are one of the essential procedures of the calculation of the towing force of the disabled ships. This paper shows simplified air resistance prediction method using the variables of the projected area of the above-water hull, the speed of the ship, the wind speed and its direction. These methods have been applied to the existing computer program which had been set up to predict the towing force of the disabled ships.