• 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.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.342-342
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• 2006

Atomic force microscope (AFM) enables us to stretch a single polymer chain by picking it at its two modified termini. Using this method called "nanofishing," we have studied statistical properties of single polymer chains. A force-extention curve obtained for a polystyrene with thiol termini in a cyclohexane showed a good agreement with a worm-like chain (WLC) model, and thus gave microscopic information about entropic elasticity. In this report, the experiments were performed at wide-range temperatures, resulting in wide-range solvent qualities from poor to good solvent condition. The temperature dependence of statistical properties of polystyrene was examined. The coil-strand transformation realized in a poor solvent was also discussed.

• Proceedings of the Materials Research Society of Korea Conference
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• 2011.05a
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• pp.3.1-3.1
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• 2011

Over the past decade, the major efforts for lowering the cost of electronics has been devoted to increasing the packaging efficiency of the integrated circuits (ICs), which is defined by the ratio of all devices on system-level board compared to the area of the board, and to working on a larger but cheaper substrates. Especially, in flexible electronics, the latter has been the favorable way along with using novel nanomaterials that have excellent mechanical flexibility and electrical properties as active channel materials and conductive films. Here, the tool for achieving large area patterning is by printing methods. Although diverse printing methods have been investigated to produce highly-aligned structures of the nanomaterials with desired patterns, many require laborious processes that need to be further optimized for practical applications, showing a clear limit to the design of the nanomaterial patterns in a large scale assembly. Here, we demonstrate the alignment of highly ordered and dense silicon (Si) NW arrays to anisotropically etched micro-engraved structures using a simple evaporation process. During evaporation, entropic attraction combined with the internal flow of the NW solution induced the alignment of NWs at the corners of pre-defined structures. The assembly characteristics of the NWs were highly dependent on the polarity of the NW solutions. After complete evaporation, the aligned NW arrays were subsequently transferred onto a flexible substrate with 95% selectivity using a direct gravure printing technique. As proof-of-concept, flexible back-gated NW field effect transistors (FETs) were fabricated. The fabricated FETs had an effective hole mobility of 0.17 $cm2/V{\cdot}s$ and an on/off ratio of ${\sim}1.4{\times}104$. These results demonstrate that our NW gravure printing technique is a simple and effective method that can be used to fabricate high-performance flexible electronics based on inorganic materials.

• Proceedings of the Polymer Society of Korea Conference
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• 2006.10a
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• pp.109-109
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• 2006

Flexible polymers with densely grafted side chains adopt the shape of cylindrical brushes, because the steric repulsion of the side chains overcomes the entropic restoring force of the main chain. Combined light-and neutron scattering measurements elucidate the extend of main chain and side chain stretching as function of side chain length. The application of cylindrical brushes as molecular actuators in response to external stimuli which is discussed.

• Elastomers and Composites
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• v.42 no.4
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• pp.201-208
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• 2007

In this study, the thermal shrinkage and expansion stresses of filled NR and SBR vulcanizates were measured to investigate the dimensional stability at an elevated temperature. When a rubber sample was held at constant pre-strain, a thermal stress developed upon heating due to the entropic consideration. The peak shrinkage stress of carbon black or silica filled NR decreased with increasing filler content. In SBR compounds, however, the peak shrinkage stress of SBR with 30 phr filler content was higher than that of unfilled compounds. The expansion stress of carbon black filled NR was changed little, but that of filled SBR increased with increasing the filler content. The peak expansion stress of silica filled NR and SBR vulcanizates increased with increasing silica content.