• 정보처리학회논문지:컴퓨터 및 통신 시스템
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• 제4권1호
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• pp.1-4
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• 2015

본 논문에서는 주어진 채널이 변형될 때, 아미노산들의 유효한 사이드 체인 배치(side chain conformation)를 찾는 알고리즘을 제시한다. 제안된 알고리즘은 아미노산의 유연성에 근거하여 사이드 체인 유연성을 가진 단백질 분자를 구현하고, 채널 변화에 영향을 주는 인접 아미노산(adjacent amino acid)을 추출한다. 인접 아미노산과 이웃(neighbor) 아미노산의 충돌 검사를 수행하여 유효하지 않은 사이드 체인 배치를 제거한 후, 회전각 조합 트리(rotation angle combination Tree)를 구성하여 사이드 체인 배치 중 유효한 것들만을 추출한다.

• 한국임상수의학회지
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• 제30권4호
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• pp.278-282
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• 2013

This study was performed in 41 dogs with unilateral or bilateral medial patella luxation (MPL) and/or cranial cruciate ligament rupture (CCLR). These dogs were classified into 4 groups according to MPL grading system. Radiographic evaluation was performed for pelvis and stifle joint in the dogs. Norberg, inclination, quadriceps and femoral varus angle were measured and analyzed with MPL grading and the existence of cranial cruciate ligament rupture. The Norberg and inclination angle showed no differences between 4 grading groups and between CCLR and no CCLR groups. However, quadriceps and femoral varus angle were statistically different between grade 1, 2 and grade 3, 4 groups. They also have shown the statistical difference between CCLR and no CCLR group. Further studies for how these parameters affect the prognosis and the results of surgical treatment of MPL should be needed.

• Bulletin of the Korean Chemical Society
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• 제29권5호
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• pp.1013-1017
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• 2008

Syndecan-3 is a cell-surface heparan sulfate proteoglycan, which performs a variety of functions during cell adhension process. It is also a coreceptor for growth factor, mediating cell-cell and cell-matrix interaction. Syndecan-3 contains a cytoplasmic domain potentially associated with the cytoskeleton. Syndecan-3 is specifically expressed in neuron cell and has related to neuron cell differentiation and development of actin filament in cell migration. Syndecans each have a unique, central, and variable (V) region in their cytoplasmic domains. And that region of syndecan-3 may modulate the interactions of the conserved C1 regions of the cytoplasmic domains by tyrosine phosphorylation. Cytoplasmic domain of syndecan-3 has been synthesized for NMR structural studies. The solution structure of syndecan-3 cytoplasmic domain has been determined by two-dimensional NMR spectroscopy and simulated-annealing calculation. The cytoplasmic domain of the syndecan proteins has a tendency to form a dimmer conformation with a central cavity, however, that of syndecan-3 demonstrated a monomer conformation with a flexible region near C-terminus. The structural information might add knowledge about the structure-function relationships among syndecan proteins.

• 한국동물위생학회지
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• 제35권3호
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• pp.207-213
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• 2012

The trunk conformations of the Gyeongju Donggyeongi (GD), Korean native dog was measured in the present study. Also, the information of reproductive activity was investigated in GD dogs. A total of 73 dogs were randomly selected out of 121 dogs in the Gyeongju County in July 2010, which were registered by inserting electronic chips in the withers. The hair colors of the GD were white, yellow, black and tiger brindle, the mean withers heights were $45.46{\pm}4.17cm$ and $49.28{\pm}3.56cm$ for female and male dogs, respectively The mean body length to withers height ratios were 117.63% and 116.4% for the female and male dogs. Concerning the reproductive capability of the GD, the mean litter number was $4.6{\pm}1.7$, the optimal mating time was $12.5{\pm}2.3$ days after the rutting season and the mean gestation period was $60.2{\pm}2.8$ days. The results of this study would be useful for compiling the official standard for the adult GD.

• Molecules and Cells
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• 제25권3호
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• pp.352-357
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• 2008

Osteoprotegerin (OPG) is a soluble decoy receptor that inhibits osteoclastogenesis and is closely associated with bone resorption processes. We have designed and determined the solution structures of potent OPG analogue peptides, derived from sequences of the cysteine-rich domain of OPG. The inhibitory effects of the peptides on osteoclastogenesis are dose-dependent ($10^{-6}M-10^{-4}M$), and the activity of the linear peptide at $10^{-4}M$ is ten-fold higher than that of the cyclic OPG peptide. Both linear and cyclic peptides have a ${\beta}$-turn-like conformation and the cyclic peptide has a rigid conformation, suggesting that structural flexibility is an important factor for receptor binding. Based on structural and biochemical information about RANKL and the OPG peptides, we suggest that complex formation between the peptide and RANKL is mediated by both hydrophobic and hydrogen bonding interactions. These results provide structural insights that should aid in the design of peptidyl-mimetic inhibitors for treating metabolic bone diseases caused by abnormal osteoclast recruitment.

• 한국생물물리학회:학술대회논문집
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• 한국생물물리학회 2003년도 정기총회 및 학술발표회
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• pp.73-73
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• 2003

We report here the results on N-acetyl-N'-methylamide of alanine (Ac-Ala-NHMe) calculated using the ab initio molecular orbital method with the self-consistent reaction field (SCRF) theory at the HF level with the 6-3l+G(d) basis set to investigate the conformational preference of alanine depending on the backbone torsion angles $\square$ and$\square$ in the gas phase, chloroform, and water. There are seven local minima (LM) in the gas phase and two additional LM are found in chloroform and water. These two additional LM A (an $\square$-helical structure) and F (a polyproline structure) are stabilized only in solutions. In the gas phase, the lowest LM is the conformation C with a C$\sub$7/ intramolecular hydrogen bond and the relative conformational energies range from 0.3 to 6.0 ㎉/mol. In chloroform, the lowest LM is the conformation E (an extended structure) and the relative conformational energies range from 0.7 to 4.9 ㎉/mol. In particular, we identified 14 possible transition states connecting between seven LM in the gas phase. The search for transition states probable in chloroform and water is now in progress.

• Bulletin of the Korean Chemical Society
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• 제26권8호
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• pp.1170-1176
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• 2005

The structures and conformations of ortho-, meta-, and para-methyl red (MR) upon proton gain and loss were studied by density functional calculations, and compared to methyl yellow for the effects of a carboxyl substitution. Internal hydrogen bonding causes the geometry of neutral o-MR planar, otherwise twist. Monoprotonated species of MR are planar where the proton is attached to $\beta$-azo nitrogen. This loses its azo character a bit, and shows strong delocalization characterized as a quinonoid canonical structure. Di-protonated species of MR is proved to hold two protons at the amino and $\alpha$-azo nitrogen atoms, and planar. It regains somewhat of its azo character, but still shows fairly delocalized property in terms of carbocationic canonical structures. The carboxyl substitution on 4-dimethylamino-trans-azobenzene structure has some delocalization effects on the geometry or conformation of MR derivatives whether neutral, mono-, di- or de-protonated.

• Bulletin of the Korean Chemical Society
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• 제28권1호
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• pp.89-94
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• 2007

The new pinane derivative containing unique multifused ring system was synthesized. The crystal, molecular and electronic structure of the title compound has been determined. Both pinane ring systems have the same conformation. The five-membered oxazolidine ring exists in twisted chair conformation. The structure is expanded through O-H…O hydrogen bond to semiinfinite hydrogen-bonded chain. The bond lengths and angles in the optimised structure are similar to the experimental ones. The CH3 and CH2 groups (except this of oxazolidine ring) are negatively charged whereas the CH groups are positively charged. The largest negative potential is on the oxygen atoms. The C-N natural bond orbitals are polarised towards the nitrogen atom (ca. 61% at N) whereas the C-O bond orbitals are polarised towards the oxygen atom (ca. 67% at O). It is consistent with the charges on the nitrogen and oxygen atom of oxazolidine ring and the direction of the dipole moment vector (3.08 Debye).

• 한국결정학회지
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• 제8권2호
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• pp.111-118
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• 1997

Hydroxy-bisbenzoyloxy-allyloxycalix[4]arene의 분자 및 결정구조를 X-선 회절법으로 연구하였다. 결정의 공간군은 P21이고, 단위세포 상수는 a=11.045(3), b=33.545(2), c=10.319(4) Å, β=113.86(2)˚, Z=4, V=3496.0(1.8) Å3, DC=1.28 gcm-3이다. 회절 반점들의 세기는 Enraf-Noninus CAD-4 Diffractometer로 얻었으며, Mo-Kαradiation X-선을 사용하였다. 분자구조는 직접법으로 풀었으며 최소자승법으로 정밀화하였다. 최종 신뢰도 R값은 2945개의 회절반점에 대하여 0.076이었다. 결정학적으로 서로 다른 두개의 거울상체 분자들이 라세미 혼합물 형태로 결정화되어 있다. 분자내 수소결합이 있으며 hydroxy1 pheny1고리가 크게 벗어난 flattend cone conformation을 보여주는 분자구조이다.

• 한국결정학회지
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• 제8권2호
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• pp.144-148
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• 1997

단결정 X-ray 회절법을 이용하여 Bentazone, C10H12N2O3S의 결정 및 부자구조를 규명하였다. 공간군은 P21/c이며 a=9.7818(9)Å, b=9.6095(9)Å, c=13.5737(9)Å, β=97.269(1)', Z=4, V=1136.1(6) Å. 직접법으로 개략적인 분자모델을 설정하고, 1396(Fo2>4σFo2)개의 독립 회절반점에 완전행력 최소자승법으로 정밀화하여 최종신뢰도값, R=0.045인 최종적인 분자모형을 구하였다. 분자내의 Thiocarbazin ring과 Isopropyl작용기는 staggered conformation을 이루고 있으며, 수소결합에 의하여 결합된 분자들은 c-축 방향으로 교차 하면서 packing 되어 있다.