• 제목/요약/키워드: Binding model

검색결과 720건 처리시간 0.026초

물리화학적 메커니즘에 기이한 큰크리트의 염화물 흡착 등온에 대한 모델링 (Integrated Modeling of Chloride Binding Isotherm of Concrete Based on Physical and Chemical Mechanisms)

  • 윤인석
    • 한국콘크리트학회:학술대회논문집
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    • 한국콘크리트학회 2006년도 추계 학술발표회 논문집
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    • pp.537-540
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    • 2006
  • Over the past few decades, a considerable number of studies on the durability of concrete have been carried out extensively. A lot of improvements have been achieved especially in modeling of ionic flows. However, the majority of these researches have not dealt with the chloride binding isotherm based on the mechanism, although chloride binding capacity can significantly impact on the total service life of concrete under marine environment. The purpose of this study is to develop the model of chloride binding isotherm based on the individual mechanism. It is well known that chlorides ions in concrete can be present; free chlorides dissolved in the pore solution, chemical bound chlorides reacted with the hydration compounds of cement, and physical bound attracted to the surface of C-S-H grains. First, sub-model for water soluble chloride content is suggested as a function of pore solution and degree of saturation. Second, chemical model is suggested separately to estimate the response of binding capacity due to C-S-H and Friedel's salt. Finally, physical bound chloride content is estimated to consider a surface area of C-S-H nano-grains and the distance limited by the Van der Waals force. The new model of chloride binding isotherm suggested in this study is based on their intrinsic binding mechanisms and hydration reaction of concrete. Accordingly, it is possible to characterize chloride binding isotherm at the arbitrary stage of hydration time and arbitrary location from the surface of concrete. Comparative study with experimental data of published literature is accomplished to validity this model.

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Bovine Ordorant Binding Protein에 대한 Tetrahydropyrane 및 Tetrahydrofurane 유도체들의 결합 친화력 상수에 관한 2D-QSAR 분석과 고활성 분자의 예측 (2D-QSAR Analyses on the Binding Affinity Constants of Tetrahydropyrane and Tetrahydrofurane Analogues against Bovine Odorant Binding Protein and Predicted of High Active Molecules)

  • 박창식;성낙도
    • Reproductive and Developmental Biology
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    • 제33권3호
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    • pp.119-123
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    • 2009
  • The two dimensional quantitative structure-activity relationships (2D-QSARs) models concerning the binding affinity constants ($p[Od.]_{50}$) between 2-cyclohexyltetrahydropyrane and 2-cyclohexyltetrahydrofurane analogues as substrates, and bovine odorant binding protein (bOBP) as receptor were derived by multiple regression analyses method and discussed. The statistical quality of the optimized 2D-QSAR model (5) was good (r=0.907). From the model, the binding affinity constants ($p[Od.]_{50}$) were dependent upon the optimal value ($(TL)_{opt.}$=2.737) of total lipole (TL) of substrate molecules. Based on these findings, the high active compounds predicted by optimized 2D-QSAR model (5) were 2-(dimethylcyclohexyl)tetrahydropyrane molecule and their isomer molecules. The binding affinity constants regarding bOBP of the tetrahydrofuryl-2-yl family compounds were dependent upon the hydrophobicity (logP) of whole substrate molecules. In any case of porcine odorant-binding proteins (pOBP), the constants were dependent upon the hydrophobicity (${\pi}x={\log}P_X-{\log}P_H$) of substituents (R) in substrate molecules. Also, from the optimal values of hydrophobic constant, the hydrophobicity for bOBP influenced ca. twice time bigger (bOBP>pOBP) than that for pOBP.

광역 객체 컴퓨팅에서 통합(이름/속성) 기반의 동적 바인딩 서비스 모델의 실험분석 (The Experimental Analysis of Integrated (Name/Property) Dynamic Binding Service Model for Wide-Area Objects Computing)

  • 정창원;주수종
    • 한국정보과학회논문지:시스템및이론
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    • 제33권10호
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    • pp.746-758
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    • 2006
  • 광역 환경에서 존재하는 수많은 서버객체들은 이름이나 속성에 의해, 다양한 중복된 성질을 갖는다. 이러한 같은 성질을 갖는 서버객체들인 중복객체들에게 서비스를 요청할 때, 기존의 네이밍이나 트레이딩 서비스는 중복된 서버객체들의 바인딩 서비스가 불가능하다. 따라서 우리는 광역 컴퓨팅 환경에서 중복객체의 선정 및 동적 바인딩 서비스를 위한 통합모델을 제시하였다. 본 모델은 중복된 객체들의 일치관리 기능뿐만 아니라 시스템들간의 부하 균형화를 유지하기 위해서 최소부하를 갖는 시스템상의 객체를 선정하는 동적 바인딩 서비스 기능을 제공한다. 이러한 목적에서 우리는 광역 컴퓨팅 환경에서 중복특성을 가진 서버객체들의 바인딩을 지원하기 위한 서비스 방안과 모델을 구축해 왔다. 본 논문에서는 구축된 모델에 대해 실험환경을 보이고, 연합 모델에서 클라이언트와 서버와의 바인딩 과정을 성능 평가하였고, 부하균형이 우리의 모델에 적용될 수 있는지 확인하기 위하여 주어진 조건을 이용하여 우리의 모델을 검증하였다. 또한 우리는 광역환경을 위한 도메인들간의 연합을 고려한 모델의 수행결과도 분석하였다. 이들 수행 결과를 통해 기존 네트워크의 물리적인 트리 구조상에서 검색 비용이 적음을 보였다.

Backbone Dynamics and Model-Free Analysis of N-terminal Domain of Human Replication Protein A 70

  • Yoo, Sooji;Park, Chin-Ju
    • 한국자기공명학회논문지
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    • 제22권1호
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    • pp.18-25
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    • 2018
  • Replication protein A (RPA) is an essential single-stranded DNA binding protein in DNA processing. It is known that N terminal domain of RPA70 (RPA70N) recruits various protein partners including damage-response proteins such as p53, ATRIP, Rad9, and MRE11. Although the common binding residues of RPA70N were revealed, dynamic properties of the protein are not studied yet. In this study, we measured $^{15}N$ relaxation parameters ($T_1,\;T_2$ and heteronuclear NOE) of human RPA70N and analyzed them using model-free analysis. Our data showed that the two loops near the binding site experience fast time scale motion while the binding site does not. It suggests that the protein binding surface of RPA70N is mostly rigid for minimizing entropy cost of binding and the loops can experience conformational changes.

Specific Recognition of Unusual DNA Structures by Small Molecules: An Equilibrium Binding Study

  • Suh, Dong-Chul
    • BMB Reports
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    • 제29권1호
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    • pp.1-10
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    • 1996
  • The binding interaction of ethidium to a series of synthetic deoxyoligonucleotides containing a B-Z junction between left-handed Z-DNA and right-handed B-DNA, was studied. The series of deoxyoligonucleotides was designed so as to vary a dinucleotide step immediately adjacent to a B-Z junction region. Ethidium binds to the right-handed DNA forms and hybrid B-Z forms which contain a B-Z junction, in a highly cooperative manner. In a series of deoxyoligonucleotides, the binding affinity of ethidium with DNA forms which were initially hybrid B-Z forms shows over an order of magnitude higher than that with any other DNA forms, which were entirely in B-form DNA The cooperativity of binding isotherms were described by an allosteric binding model and by a neighbor exclusion model. The binding data were statistically compared for two models. The conformation of allosterically converted DNA forms under binding with ethidium is found to be different from that of the initial B-form DNA as examined by CD spectra. The ratio of the binding constant was interestingly correlated to the free energy of base unstacking and the conformational conversion of the dinucleotide. The more the base stacking of the dinucleotide is unstable, or the harder the conversion of B to A conformation, the higher the ratio of the binding constant of ethidium with the allosterically converted DNA forms and with the initial B-Z hybrid forms. DNA sequence around a B-Z junction region affects the binding affinity of ethidium. The results in this study demonstrate that ethidium could preferentially interact with unusual DNA structures.

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개인속성 정보의 결합을 통한 강화된 인증방안에 대한 연구 (The Study on the Enhanced User Authentication using the Combination of Individual Attribute)

  • 김태경
    • 디지털산업정보학회논문지
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    • 제10권2호
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    • pp.83-89
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    • 2014
  • An increasing number of children are now using the Internet. They are starting at a younger age, using a variety of devices and spending more time online. It becomes an important problem to protect the children in online environment. The Internet can be a major channel for their education, creativity and self-expression. However, it also carries a spectrum of risks to which children are more vulnerable than adults. In order to solve these problems, we suggested a binding model of user attributes for enhanced user authentication. We also studied the requirements and prerequisites of a binding model of user attributes. In this paper we described the architecture of binding model of user attributes and showed the effectiveness of the suggested model using simulation. This model can be utilized to enhanced user authentication and service authorization.

Hormonal Regulation of Insulin-Like Growth Factor Binding Protein Secretion by a Bovine Mammary Epithelial Cell Line

  • Kim, W.Y.;Chow, J.C.;Hanigan, M.D.;Calvert, C.C.;Ha, J.K.;Baldwin, R.L.
    • Asian-Australasian Journal of Animal Sciences
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    • 제10권2호
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    • pp.233-239
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    • 1997
  • A mammary epithelial cell line (MAC-T) established as a model for lactation was utilized to identify and characterize effects of various hormones upon insulin-like growth factor binding protein secretion. Ligand and immunoblot analyses of conditioned media indicated that insulin-like growth factor binding protein-2 was secreted by MAC-T cells. Insulin-like growth factor-I stimulated insulin-like growth factor binding protein-2 secretion in a dose-dependent manner, but prolactin and bovine somatotropin did not alter insulin-like growth factor binding protein-2 secretion. Insulin increased and cortisol decreased insulin-like growth factor binding protein-2 secretion. Effects of insulin-like growth factor-I on insulin-like growth factor binding protein-2 secretion support previous studies using primary cultures of bovine mammary cells and bovine fibroblasts. Effects of cortisol and insulin on insulin-like growth factor binding protein-2 secretion may be explained by changes in protein synthesis. In addition, supraphysiological doses of insulin can cross-react with the insulin-like growth factor-I receptor and stimulate insulin-like growth factor binding protein-2 secretion. MAC-T cells provide a model system to study mechanisms that regulate local insulin-like growth factor-I bioactivity.

Binding energy of H2 to MOF-5: A Model Study

  • Lee, Jae-Shin
    • Bulletin of the Korean Chemical Society
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    • 제32권12호
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    • pp.4199-4204
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    • 2011
  • Using models simulating the environment of two distinct adsorption sites of $H_2$ in metal-organic framework-5 (MOF-5), binding energies of $H_2$ to MOF-5 were evaluated at the MP2 and CCSD(T) level. For organic linker section modeled as dilithium 1,4-benzenedicarboxylate ($C_6H_4(COO)_2Li_2$), the MP2 and CCSD(T) basis set limit binding energies are estimated to be 5.1 and 4.4 kJ/mol, respectively. For metal oxide cluster section modeled as $Zn_4O(CO_2H)_6$, while the MP2 basis set limit binding energy estimate amounts to 5.4 kJ/mol, CCSD(T) correction to the MP2 results is shown to be insignificant with basis sets of small size. Substitution of benzene ring with pyrazine ring in the model for the organic linker section in MOF-5 is shown to decrease the $H_2$ binding energy noticeably at both the MP2 and CCSD(T) level, in contrast to the previous study based on DFT calculation results which manifested substantial increase of $H_2$ binding energies upon substitution of benzene ring with pyrazine ring in the similar model.

Quantitative Frameworks for Multivalent Macromolecular Interactions in Biological Linear Lattice Systems

  • Choi, Jaejun;Kim, Ryeonghyeon;Koh, Junseock
    • Molecules and Cells
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    • 제45권7호
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    • pp.444-453
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    • 2022
  • Multivalent macromolecular interactions underlie dynamic regulation of diverse biological processes in ever-changing cellular states. These interactions often involve binding of multiple proteins to a linear lattice including intrinsically disordered proteins and the chromosomal DNA with many repeating recognition motifs. Quantitative understanding of such multivalent interactions on a linear lattice is crucial for exploring their unique regulatory potentials in the cellular processes. In this review, the distinctive molecular features of the linear lattice system are first discussed with a particular focus on the overlapping nature of potential protein binding sites within a lattice. Then, we introduce two general quantitative frameworks, combinatorial and conditional probability models, dealing with the overlap problem and relating the binding parameters to the experimentally measurable properties of the linear lattice-protein interactions. To this end, we present two specific examples where the quantitative models have been applied and further extended to provide biological insights into specific cellular processes. In the first case, the conditional probability model was extended to highlight the significant impact of nonspecific binding of transcription factors to the chromosomal DNA on gene-specific transcriptional activities. The second case presents the recently developed combinatorial models to unravel the complex organization of target protein binding sites within an intrinsically disordered region (IDR) of a nucleoporin. In particular, these models have suggested a unique function of IDRs as a molecular switch coupling distinct cellular processes. The quantitative models reviewed here are envisioned to further advance for dissection and functional studies of more complex systems including phase-separated biomolecular condensates.