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2007 IEEE International Conference on Bioinformatics and Biomedicine Workshops最新文献

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Detecting constituent sequences by means of HP pattern-based grammars to synthesize proteins: Inferring sequence-structure-function relationship 基于HP模式语法的蛋白质合成成分序列检测:序列-结构-功能关系推断
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425400
G. Nicosia, E. Sciacca, L. Zammataro
The detection of protein characters that could reveal how protein chains are constituted, is an important step to understand the main functions of specific classes of proteins. We made use of the concept of "HP pattern-based" grammars to study the connection between protein chains and protein functions. In order to consider the structure of the proteins the HP models were used. Amino acid sequences were treated as a formal language, and it was built a set of HP pattern-based grammars to describe this language by means the Teiresiaspattern discovery tool. First, this methodology was tested on the class of antimicrobial peptides (AmPs). The deduced derivation rules of HP pattern-based grammars were validated by the regular grammar designed by [Loose, C., et al., 2006] which was used to create new, unnatural, AmPs sequences. Then, our approach was applied to characterize a function of the Pleckstrin homology domain (PH Domain) which represents an important three dimensional domain which bind to phosphoinositides. Nowadays, interactions among PH domain amino acids and inositol phosphate are not well characterized. For the first time, by means of an HP pattern-based grammar, we highlight that this binding function can be described in terms of hydrophocity patterns. Our approach points out some fundamental aspects regarding the relationship between sequence, structure and function of proteins.
蛋白质特征的检测可以揭示蛋白质链是如何构成的,是了解特定种类蛋白质主要功能的重要一步。我们利用“基于HP模式”的语法概念来研究蛋白质链和蛋白质功能之间的联系。为了考虑蛋白质的结构,采用HP模型。将氨基酸序列作为一种形式语言,利用teiresias模式发现工具构建了一套基于HP模式的语法来描述这种语言。首先,该方法在抗菌肽类(AmPs)上进行了测试。基于HP模式的语法推导出的派生规则被[Loose, C.等人,2006]设计的规则语法验证,该规则语法用于创建新的非自然的amp序列。然后,我们的方法被应用于表征Pleckstrin同源结构域(PH结构域)的函数,该结构域代表了与磷酸肌苷结合的重要三维结构域。目前,PH结构域氨基酸与磷酸肌醇之间的相互作用还没有很好的表征。通过基于HP模式的语法,我们第一次强调了这个绑定函数可以用亲水性模式来描述。我们的方法指出了蛋白质序列、结构和功能之间关系的一些基本方面。
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引用次数: 0
An approximate robotics algorithm to assemble a loop between two helices 一种近似的机器人算法来组装两个螺旋之间的环
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425403
Jing He, K. Al Nasr
We have developed an algorithm to assemble a loop in between two helices using the idea of the cyclic coordinate descent (CCD) that is an inverse kinematics approach in the field of robotics. Our method is a variant of the original CCD. It uses both the forward walk and the backward walk with different targets. A test of 20 cases suggests that the minimum root mean square deviation to native for the 500 assembled loops is comparable to that of the original CCD method but less number of the loops is needed. The results of the test suggest that the number of walks needed to reach the required accuracy can be significantly smaller than 50, the maximum number allowed in our method.
我们开发了一种算法,利用循环坐标下降(CCD)的思想,在两个螺旋之间组装一个环路,这是机器人领域的逆运动学方法。我们的方法是原始CCD的一种变体。它使用向前行走和向后行走两种不同的目标。20个案例的测试表明,500个装配环路的最小均方根偏差与原始CCD方法相当,但所需环路数量较少。测试结果表明,达到所需精度所需的行走次数可以明显小于50次,这是我们方法中允许的最大次数。
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引用次数: 3
Protein folding simulation by all-atom CSAW method 全原子CSAW方法模拟蛋白质折叠
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425399
Weitao Sun
Conditioned self-avoiding walk (CSAW) is a novel ab initio protein folding simulation model based on Langevin equation and Monte-Carlo method. The polypeptide chain is divided into effectively rigid crank units lined by covalent bonds. The only degrees of the freedom are rotations around these bonds. Instead of a hard sphere, the amino acid side chains are modeled by real atom conformation in this paper. The particular feathers of each side chain are considered in calculating the hydrophobic and electrostatic energy in all-atom CSAW. By introducing long range electrostatic interactions, not only the alpha helixes in 1A7W but also beta sheets/strands in 3AIT are successfully simulated for the first time by improved CSAW.
条件自回避行走(CSAW)是一种基于朗格万方程和蒙特卡罗方法的新型从头算蛋白质折叠仿真模型。多肽链被分成由共价键排列的有效刚性曲柄单元。唯一的自由度是围绕这些键的旋转。本文采用真实的原子构象来模拟氨基酸侧链,而不是用硬球来模拟。在计算全原子CSAW的疏水能和静电能时,考虑了各侧链的特殊羽毛。通过引入长距离静电相互作用,改进的CSAW首次成功地模拟了1A7W中的α螺旋和3AIT中的β片/链。
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引用次数: 3
Rapid computation of large numbers of LOD scores in linkage analysis through polynomial expression of genetic likelihoods 利用遗传似然的多项式表达式快速计算连锁分析中的大量LOD分数
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425419
Hongling Wang, Yungui Huang, V. Vieland, Alberto Maria Segre, J. O’Connell
This paper introduces a new method for computing large numbers of LOD scores in linkage analysis. The LOD score method is commonly used in genetic linkage analysis to associate functionality of genes to their locations on chromosomes. A LOD score is a log 10 likelihood ratio of linkage to no linkage. Instead of calculating values of likelihoods of linkage and no linkage under given values of genetic parameters directly from pedigree data, we construct expressions for likelihoods of linkage and no linkage as polynomials of genetic parameters. These likelihood polynomials of pedigrees don't change for different parameter values. After the likelihood polynomials are constructed, the values of likelihoods of linkage and no linkage can be computed by evaluating the likelihood polynomials with specific parameter values. The likelihood polynomials are optimized during construction so that repeated terms within the expressions are shared. Moreover, we find that the likelihood polynomials of different pedigrees also often share terms. This term-sharing feature leads us to an evaluation strategy where shared terms are evaluated only once and reused by all the polynomials that share them. The reuse of shared terms in polynomial evaluation greatly decreases the re- computation in calculation of large numbers of LOD scores and improves the computing efficiency. Our results show that this approach can speed up the traditional genetic linkage computation by 10~1200 times. This approached has been applied to the computation of the posterior probability of linkage (PPL) where calculation of large numbers of LOD scores is required.
本文介绍了一种新的方法来计算链接分析中的大量LOD分数。LOD评分法通常用于遗传连锁分析,将基因的功能与其在染色体上的位置联系起来。LOD分数是有关联与无关联的似然比为log 10。我们不是直接从系谱数据中计算给定遗传参数值下的连锁和无连锁的似然值,而是将连锁和无连锁的似然表达式构造为遗传参数的多项式。系谱的这些似然多项式不随参数值的不同而变化。构造似然多项式后,通过对具有特定参数值的似然多项式求值,即可计算出有关联和无关联的似然值。在构造过程中对似然多项式进行了优化,使得表达式中的重复项是共享的。此外,我们发现不同谱系的似然多项式也经常共享项。这个术语共享特性使我们得到一种求值策略,在这种策略中,共享的术语只求一次,并被共享它们的所有多项式重用。在多项式求值中重用共享项,大大减少了大量LOD分数计算中的重复计算,提高了计算效率。结果表明,该方法可将传统的遗传连锁计算速度提高10~1200倍。这种方法已应用于计算后验概率的联系(PPL),其中计算大量的LOD分数是需要的。
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引用次数: 5
Developing an annotated corpus of patient histories from the primary care health record 从初级保健健康记录中开发带注释的患者病史语料库
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425415
O. Huseth, T. Brox Rost
We have developed a tool for annotation of electronic health record (EHR) data. Currently, we are in the process of manually annotating a corpus of Norwegian general practitioners EHRs with mainly linguistic information. The purpose of this project is to attain a lingustically annotated corpus of patient histories from general practice. This corpus will be put to future use in medical language processing and information extraction applications. This paper outlines some of our practical experiences from developing such a corpus and, in particular, the effects of semi-automated annotation. We have also done some preliminary experiments with part-of-speech tagging based on our corpus. The results indicate that relevant training data from the clinical domain gives better results for the tagging task in this domain than training the tagger on a corpus from a more general domain. We are planning to expand the corpus annotations with medical information at a later stage.
我们开发了一个电子健康记录(EHR)数据注释工具。目前,我们正在手动注释挪威全科医生电子病历的语料库,主要是语言信息。该项目的目的是获得一个语言注释的语料库的病人的历史,从一般做法。该语料库将用于未来的医学语言处理和信息提取应用。本文概述了我们开发这样一个语料库的一些实践经验,特别是半自动注释的效果。我们还做了一些基于语料库的词性标注的初步实验。结果表明,临床领域的相关训练数据比在一般领域的语料库上训练标注者能更好地完成该领域的标注任务。我们计划在后期用医学信息扩展语料库注释。
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引用次数: 3
Mediated taxonomy system for bioinformatics data integration 生物信息学数据整合的中介分类系统
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425410
Feng Ji, Jack Fu, R. Elmasri, N. Stojanovic, Geoffrey Grant
In biomedical/biological research fields, scientists usually face the problem of information explosion. Once a query is issued, a collection of data instance IDs such as protein accession numbers are returned. Each protein must be checked for the features of interest. This paper addresses the characterization and differentiating of biological data in the context of mediated domain ontology based on the multilevel abstraction framework. Our mediator system features hybrid ontologies (internal core ontology concept and external classification/annotation concepts) for the interpretation of protein and gene instance data in the context of interaction, pathway and process, which achieve the goal of data integration at the instance level.
在生物医学/生物研究领域,科学家经常面临信息爆炸的问题。发出查询后,将返回一组数据实例id,如蛋白质加入号。每一种蛋白质都必须检查其感兴趣的特征。本文研究了基于多层抽象框架的中介领域本体背景下生物数据的表征与区分。我们的中介系统以混合本体(内部核心本体概念和外部分类/注释概念)为特征,用于在交互、途径和过程的背景下解释蛋白质和基因实例数据,实现实例级数据集成的目标。
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引用次数: 3
Comparison of experimental and computed protein anisotropic temperature factors 实验与计算蛋白质各向异性温度因子的比较
Lei Yang, Guang Song, R. Jernigan
Because of its appealing simplicity, the anisotropic network model (ANM) has been widely accepted and applied to study many molecular motion problems: such as the molecular mechanisms of GroEL-GroES function, allosteric changes in hemoglobin, ribosome motion, motor-protein motions, and conformational changes in general, etc. However, the validity of the ANM has not been closely examined. In this work, we use ANM to predict the anisotropic temperature factors of proteins. On the flip side, the rich, directional anisotropic temperature factor data available for hundreds of proteins in the protein data bank (PDB) are used as validation data to closely test the ANM model. The significance of this work is that it presents a timely, important evaluation of the model, shows the extent of its accuracy in reproducing experimental anisotropic temperature factors, and suggests ways to improve the model. An improved model will help us better understand the internal dynamics of proteins, which in turn can greatly expand the usefulness of the models, which has already been demonstrated in many applications.
各向异性网络模型(ANM)由于其简单的特点,已被广泛接受并应用于研究许多分子运动问题,如GroEL-GroES函数的分子机制、血红蛋白的变构变化、核糖体运动、运动蛋白运动以及一般的构象变化等。然而,ANM的有效性还没有得到仔细的检验。在这项工作中,我们使用ANM来预测蛋白质的各向异性温度因子。另一方面,蛋白质数据库(PDB)中数百种蛋白质的丰富、定向各向异性温度因子数据被用作验证数据,以密切测试ANM模型。本工作的意义在于对模型进行了及时、重要的评价,表明了模型在再现实验各向异性温度因子方面的准确性,并提出了改进模型的方法。一个改进的模型将帮助我们更好地理解蛋白质的内部动力学,这反过来又可以极大地扩展模型的有用性,这已经在许多应用中得到了证明。
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引用次数: 43
SHA: A secure voice activated smart home for quadriplegia patients SHA:为四肢瘫痪患者设计的安全语音激活智能家居
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425413
Y. Uzunay, K. Bicakci
One of the most promising technologies to enhance the quality of life of quadriplegia patients is smart home environments. Security has a paramount importance for all health information systems, but it is generally overlooked until a major security breach occurs. Especially in an application specifically targeting people with disabilities, ignoring security might have dire consequences therefore we think that proactive measures should be taken by system designers. In this paper, we present SHA, a secure voice activated smart home for quadriplegia patients. The principal contribution of our system lies behind the security mechanisms incorporated in the proposed smart home architecture which has an integrated framework including ambient assistance and remote health monitoring.
智能家居环境是提高四肢瘫痪患者生活质量最有前途的技术之一。安全对所有卫生信息系统都至关重要,但在发生重大安全漏洞之前,它通常被忽视。特别是在专门针对残疾人的应用程序中,忽视安全性可能会产生可怕的后果,因此我们认为系统设计人员应该采取主动措施。在本文中,我们提出了SHA,一个安全的语音激活智能家居,为四肢瘫痪患者。我们系统的主要贡献在于集成在拟议的智能家居架构中的安全机制,该架构具有集成的框架,包括环境辅助和远程健康监测。
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引用次数: 10
Flagellar proteins prediction after sequence-structure alignments of coronin and Arp2/3 complex in Leishmania spp. 利什曼原虫冠蛋白和Arp2/3复合体序列结构比对后鞭毛蛋白预测。
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425404
M. P. Costa, H. Ribeiro, A. Pacheco, D. Pinheiro, M. Kamimura, R. Araujo-Filho, D. M. de Oliveira
Leishmania are uniflagellate protozoa, whose flagellum plays a key role in motility, being essential for parasite migration, invasion and persistence on host tissues. Actin is the major cytoskeleton protein, while polymerization and depolymerization of parasite actin and actin motor-associated proteins during both processes of motility and host cell entry might be key events for successful infection. In search for genomic and/or proteomic evidences of actin-interacting proteins (AIPs) involved in flagellar activities of Leishmania spp., we have applied computational tools (hidden Markov models, Viterbi algorithm and comparative modeling) to infer biological meaning through detailed sequence-structural-functional analyses on Leishmania AIPs, such as coronin and Arp2/3 complex proteins, two important elements on phagosome formation after parasite phagocytosis by macrophages. Results presented here provide the first integrated bioinformatics analyses of Leishmania coronin and Arp2/3 genes and their gene products, a direct contribution to genome annotation of these important actin-regulating proteins yet to be properly in vitro characterized in flagellate trypanosomatids towards their putative virulence.
利什曼原虫是一种单鞭毛原虫,其鞭毛在运动中起着关键作用,是寄生虫迁移、入侵和在宿主组织上停留所必需的。肌动蛋白是主要的细胞骨架蛋白,而在运动和进入宿主细胞过程中,寄生虫肌动蛋白和肌动蛋白运动相关蛋白的聚合和解聚可能是成功感染的关键事件。为了寻找参与利什曼原虫鞭毛活性的肌动蛋白相互作用蛋白(AIPs)的基因组和/或蛋白质组学证据,我们应用计算工具(隐马尔可夫模型、Viterbi算法和比较建模)对利什曼原虫的AIPs(如冠状蛋白和Arp2/3复合体蛋白)进行了详细的序列-结构-功能分析,推断其生物学意义。冠状蛋白和Arp2/3复合体蛋白是巨噬细胞吞噬寄生虫后吞噬体形成的两个重要元素。本文的研究结果首次提供了利什曼冠状蛋白和Arp2/3基因及其基因产物的综合生物信息学分析,对这些重要的肌动蛋白调节蛋白的基因组标注做出了直接贡献,这些蛋白尚未在鞭毛虫锥虫中进行适当的体外鉴定,以确定其推测的毒力。
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引用次数: 1
Using fuzzy memberships to core patterns to interpret connectedness in gene expression clusters 利用模糊隶属度对核心模式进行解释基因表达簇中的连通性
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425409
N. A. Yousri, M. Kamel, M. Ismail
Connectivity based clustering can reveal the continuity of gene expression patterns, and thus can discover interrelations between tumor types, as well as regulatory relations between genes that can lead to discovering gene pathways. Pattern cores are a subset of expression patterns that are representatives of the whole set of patterns and can be used to reveal the structure of the data as well as that of the clusters, especially in the presence of huge data sets. This work presents a fuzzy approach that starts by finding the density-based expression pattern cores. Those cores are then clustered into core clusters and fuzzy memberships to those cores are calculated for all patterns in the data set. The whole data set is then clustered into pattern clusters using a connectivity-based algorithm, where a pattern cluster might contain one or more core clusters. The fuzzy memberships to core clusters in each pattern cluster are used to interpret the connectedness of the pattern cluster using the structure of core clusters, as well as to identify how each pattern is related to one or more tumor types.
基于连通性的聚类可以揭示基因表达模式的连续性,从而发现肿瘤类型之间的相互关系,以及基因之间的调控关系,从而发现基因通路。模式核心是表达模式的一个子集,它代表了整个模式集,可用于揭示数据和集群的结构,特别是在存在大量数据集的情况下。这项工作提出了一种模糊的方法,从寻找基于密度的表达模式核心开始。然后将这些核心聚类到核心集群中,并为数据集中的所有模式计算这些核心的模糊隶属关系。然后使用基于连通性的算法将整个数据集聚到模式集群中,其中模式集群可能包含一个或多个核心集群。每个模式簇中与核心簇的模糊隶属关系被用来利用核心簇的结构来解释模式簇的连通性,以及识别每个模式如何与一种或多种肿瘤类型相关。
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引用次数: 2
期刊
2007 IEEE International Conference on Bioinformatics and Biomedicine Workshops
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