• The KIPS Transactions:PartA
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• v.19A no.2
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• pp.73-76
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• 2012

In this paper, we propose an efficient method to extract surface atoms from a protein molecule. Surface atoms are defined as a set of atoms who can contact given probe solvent $P$, where $P$ does not collide with the molecule. The atoms contained in the molecule are represented as a set of spheres with van der Waals radii. The probe solvent also is represented as a sphere. We propose a method to extract the surface atoms by computing the offset surface of the molecule with respect to the radius of $P$. For efficient computation of the offset surface of a molecule, a voxel map is constructed for the offset surfaces of the spheres. Based on GPU (graphic processor unit) acceleration, a data parallel algorithm is used to extract the surface atoms in 42.87 milliseconds for the molecule containing up to 6,412 atoms.

• KIPS Transactions on Software and Data Engineering
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• v.8 no.10
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• pp.421-426
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• 2019

In this paper, we propose a method to visualize the geometric features of the contact region between proteins in a protein complex. When proteins or ligands are represented as curved surfaces with irregularities, the property that the two surfaces contact each other without intersections is called shape compatibility. Protein-Protein or Protein-Ligand docking researches have shown that shape complementarity, chemical properties, and entropy play an important role in finding contact regions. Usually, after finding a region with high shape complementarity, we can predict the contact region by using residual polarity and hydrophobicity of amino acids belonging to this region. In the research for predicting the contact region, it is necessary to investigate the geometrical features of the contact region in known protein complexes. For this purpose, it is essential to visualize the geometric features of the molecular surface. In this paper, we propose a method to find the contact region, and visualize the geometric features of it as normal vectors and mean curvatures of the protein complex.

• Journal for History of Mathematics
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• v.21 no.3
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• pp.1-30
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• 2008

The success of Newton's Gravitational Theory has influenced the theory of capillarity, beginning in the early nineteenth century, by providing a major model of molecular attraction. He used the equation of the attraction of spheroids, which is expressed by second order partial differential equations, to utilize this analogy as the same kind of a particle's force, between gravitational, refractive force of light, and capillarity. The solution of the differential equation corresponds to the geometrical figure of the vessel and the contact angle which is made by the fluid. Unknown abstract functions $\varphi(f)$ represent interaction forces between molecules, giving their potential functions. By conducting several kinds of experimental conditions, it was found that the height of the ascending fluid in the tube is inversely proportional to the rayon of the tube or the distance of the plate. This model is an essential element in the theory of capillarity. Laplace has brought Newtonian mechanics to completion, which relates to the standard model of gravitational theory. Laplace-Young's equation of capillarity is applicable to minimal surfaces in mathematics, to surface tensional phenomena in physics, and to soap bubble experiments.

• Polymer(Korea)
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• v.39 no.3
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• pp.514-521
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• 2015

In this study, we would like to describe peel strength and dynamic shear property on various substrates of multi-layered structural double-sided adhesive tape with or without adhesive (AD) prepared by UV curing for an automobile, construction, and display junction. According to adapt the adhesive, the peel and dynamic shear strength of adhesion tape prepared with acrylic foam or various plastic substrates increased with increasing molecular weight, however, decreased over 650000 molecular weight. The adhesion property shows high value at the thin AD layer with decreasing temperature. The interface property shows highest at MW 615000 (AD-4), and the interface junction below MW 615000 resulted to divide from acrylic foam and adhesive layer. From this study, the multi-layered structural double-sided adhesive tapes seem to be a useful for industrial area such as a low surface energy plastic material and curved substrate.

• Journal of the Korean Chemical Society
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• v.31 no.2
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• pp.123-132
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• 1987

Nucleophilic substitution reactions of methylthiocyanate(MTC) with anion nucleophiles,$SH^-,\;CN^-$ and $OH^-$, have been investigated using MNDO method. For the three reaction centers of MTC, gas-phase and solution-phase selectivities are discussed for each nucleophile by considering potential energy profiles calculated(intrinsic term) and magnitudes of negative charge on the nucleophile at the transition state(solvation term). It was found that both components of the selectivity for $SH^-$agreed with the experimental results obtained for 4-methylbenzylthiocyanate (4-MBTC), but the selectivity order for TEX>$CN^-$ was found to agree only with that of the intrinsic term and that of $OH^-$disagreed with any theoretical selectivity order. The MNDO optimized geometries for all species at the stationary points are reported.

• Proceedings of the Korea Information Processing Society Conference
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• 2002.04a
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• pp.625-628
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• 2002

디지틸워터마킹은 디지털콘텐츠의 저작권보호 솔루션으로서 현재 주로 이미지, 오디오, 비디오, 텍스트 등을 대상으로 연구되고 있다. 컴퓨터 하드웨어, 네트워크, 그리고, 응용 소프트웨어의 빠른 발전과 함께 국가 차원의 초고속 통신망의 인프라 구축에 힘입어, 3차원 폴리곤과 곡선 및 곡면에 대한 디지털워터마킹에 관심이 높아지고 있다. 본 논문에서는 유리 베지에곡선에 대한 디지털워터마킹에 대한 하나의 방법을 제시한다. 기존의 베지에곡선의 차수를 증가시키는 일반적인 방법이 아닌 유리항의 분모와 분자에 공통의 다항식을 곱하여 차수를 증가시킨다. 이때 공통으로 칠하는 다항식의 관들의 복비(cross ratio) 값에 우리가 숨기고자하는 마크를 삽입하고, 추출해내는 방법을 제시한다. 본 논문에서 제시된 알고리듬은 워터마크를 삽입하는 과정에서 곡선의 형태를 전혀 변화시키지 않는 형태 유지성(shape preserving property)을 갖는다. 또한. 본 알고리듬의 다른 중요한 특징은 곡선이 CAD 시스템에 의해 이용되는 과정에서 흔히 일어나는 재매개화 방법 중 뫼비우스 변환을 이용한 재매개화에 저항성이 있는 알고리듬이라는 것이다. 마지막으로 본 연구에서 제시한 방범에 의한 예제의 결과를 보여준다.

• Membrane Journal
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• v.22 no.1
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• pp.23-34
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• 2012

In this study, we investigated the permeation property of single gases ($N_2$, $O_2$, $SF_6$, $CF_4$ through hollow fiber polymeric membrane (PSF, PC, PI) as a function of pressure and temperature to decide operating condition for $SF_6$ gas separation process. The results showed the gas permeation varied differentlydepending on the properties of gases and membrane. When permeance of each gases was represented as a function of temperature and pressure in 3 dimensional space, the surface of permeance was shown approximately flat. Thus, we established permeance models with forms of first-and second-order polynomial. These two models showed high goodness of fit. This indicates that the two polynomial models have enough applicability to predict the gas separation process.