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

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Ontology algebra for composition of protein data sources 蛋白质数据源组成的本体代数
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425412
A. Sidhu, T. Dillon, E. Chang
Most biological resources available today on the web provide a good number of cross-links to other resources with relevant information. However, in our opinion, what is still lacking is an integrated view that provides complete coverage of information through a single entry point. The main problem lies in interpreting biological nomenclature because the underlying data sources are inconsistent. In this paper we discuss Protein Ontology (PO) Algebra that we use for composition and interoperability of protein data sources. We outline the existing research in interoperability of biological data sources, before discussing our semantic interoperability approach in detail. The actual implementation of Protein Ontology is also discussed briefly in this paper, which depends on the strength of the Protein Ontology Algebra.
当今网络上的大多数生物资源都提供了大量与其他资源相关信息的交叉链接。然而,在我们看来,仍然缺乏的是通过单一入口点提供完整信息覆盖的集成视图。主要问题在于解释生物学命名法,因为底层数据源不一致。本文讨论了蛋白质本体代数(Protein Ontology Algebra, PO)在蛋白质数据源的组成和互操作中的应用。在详细讨论我们的语义互操作性方法之前,我们概述了生物数据源互操作性的现有研究。本文还简要讨论了蛋白质本体的实际实现,这取决于蛋白质本体代数的强度。
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引用次数: 2
ailSemantic Web-based data representation and reasoning applied to disease mechanism and pharmacology 基于语义的数据表示和推理在疾病机制和药理学中的应用
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425411
Xiaoyan A. Qu, R. C. Gudivada, A. Jegga, Eric K. Neumann, Bruce J. Aronow
To pursue a systematic approach to the discovery of novel and inferable relationships between drugs and diseases based on mechanistic knowledge, we have sought to apply semantic Web-based technologies to integrate heterogeneous data from pharmacological and biological domains. We have devised a knowledge framework, Disease-Drug Correlation Ontology (DDCO), constructed for semantic representation of the key entities and relationships. A collection of prior knowledge sets including pharmacological substance, drug target, pathway, disease and clinical features, and all interlinking properties were integrated using an RDF (resource description framework) model derived from the semantic elements defined in the DDCO framework. Using the resulting RDF graph network, ontology-based mining and queries could identify embedded associations in this genome-phenome-pharmacome network. Several use-cases demonstrated that potentially powerful rewards could be obtained through semantic integration based on principles of drug action modeling.
为了寻求一种系统的方法来发现基于机制知识的药物和疾病之间的新型和可推断的关系,我们寻求应用基于语义的基于web的技术来整合来自药理学和生物学领域的异构数据。我们设计了一个知识框架,疾病-药物相关本体(DDCO),构建了关键实体和关系的语义表示。使用从DDCO框架中定义的语义元素派生的RDF(资源描述框架)模型集成了包括药理学物质、药物靶点、途径、疾病和临床特征以及所有相互关联属性在内的先验知识集集合。利用生成的RDF图网络,基于本体的挖掘和查询可以识别基因组-现象-药物组网络中的嵌入关联。几个用例表明,基于药物作用建模原理的语义集成可以获得潜在的强大奖励。
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引用次数: 9
V-Lab-Protein: Virtual Collaborative Lab for protein sequence analysis V-Lab-Protein:蛋白质序列分析的虚拟协作实验室
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425417
Jong Youl Choi, Youngik Yang, Sun Kim, Dennis Gannon
Recent development of genome and gene analysis technology enabled rapid accumulation of biological data. To utilize such huge data, a biologist needs to have resource-rich computing environment and user-friendly analysis tool invocation. To response such requirements, we designed and implemented a virtual lab, named Virtual Collaborative Lab (V-Lab-Protein), using an efficient and flexible computing resource management and workflow engine with a user-friendly graphical workflow composer. Utility of our system is demonstrated by analyzing sample protein sequence sets. This is the first system of its kind that combines flexible workflow systems and on-demand compute and data resources (Amazon EC2/S3 in this case). We believe that this system design principle will be a new and effective paradigm for small biology research labs to handle the ever-increasing biological data.
近年来基因组和基因分析技术的发展使生物数据的积累迅速。为了利用如此庞大的数据,生物学家需要资源丰富的计算环境和用户友好的分析工具调用。为了满足这些需求,我们设计并实现了一个虚拟实验室,命名为虚拟协作实验室(V-Lab-Protein),使用高效灵活的计算资源管理和工作流引擎以及用户友好的图形工作流编写器。通过对样品蛋白质序列集的分析,证明了该系统的实用性。这是同类系统中第一个将灵活的工作流系统与按需计算和数据资源(本例中是Amazon EC2/S3)结合在一起的系统。我们相信,该系统设计原则将为小型生物学研究实验室处理日益增长的生物学数据提供一种新的有效范例。
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引用次数: 8
Predicting protein-protein interactions based on BP neural network 基于BP神经网络的蛋白质相互作用预测
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425393
Zhiqiang Ma, Chunguang Zhou, Linying Lu, Yanan Ma, Pingping Sun, Ying Cui
In this paper, we present a method which only employs protein primary structure to predict protein-protein interactions. The statistical method is used to generate sequence features, which are normalized for satisfying experiments. Six parameters of physicochemical properties are calculated for each protein, including assessable residues, buried residues, hydrophobility, molecular weight, polarity and average area buried. The sequence features are extracted both from interaction proteins and non-interaction proteins. And BP neural network is used to classify two kinds of protein. The statistical evaluation of the BP neural network classifier shows that it performs well above 87% accuracy rate through 10-fold cross-validation. 2000 sequences which come from Scerevisiae yeast dataset are classified in our experimentation. The results demonstrate that 1780 sequences are classified correctly, which show that our proposed method is effective and feasible.
本文提出了一种仅利用蛋白质一级结构预测蛋白质相互作用的方法。采用统计方法生成序列特征,对序列特征进行归一化处理,使实验结果满意。计算了每种蛋白质的六个理化性质参数,包括可评估残基、埋藏残基、疏水性、分子量、极性和平均埋藏面积。从相互作用蛋白和非相互作用蛋白中提取序列特征。并利用BP神经网络对两种蛋白质进行分类。通过10倍交叉验证,对BP神经网络分类器进行了统计评价,准确率达到87%以上。本实验对来自酵母酵母数据集的2000个序列进行了分类。结果表明,对1780个序列进行了正确的分类,证明了该方法的有效性和可行性。
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引用次数: 15
Incorporating constraints from low resolution density map in ab initio structure prediction using Rosetta 结合低分辨率密度图约束的Rosetta从头算结构预测
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425402
Y. Lu, C. Strauss, Jing He
We have developed a new method for adding constraints derived from low resolution density maps to Rosetta ab initio prediction method. This method incorporates the geometrical constraints of the helix skeleton that can be detected from a low resolution density map. We propose a 2-stage approach to predict the backbone of a protein from a low resolution map. In stage one, a small set of possible topologies will be predicted for the helix skeleton [1]. This paper describes the second stage that is to predict the backbone of the protein from a low resolution density map. A constraint scoring function was developed and incorporated in the Rosetta simulation process. The entire density map is only used for the final selection among the possible backbones that satisfy the constraints. Our method was tested with 16 mainly alpha-helical proteins ranging from 50 to 150 residues. 12 of the 16 proteins show improved accuracy for both the top 1 prediction and the best of the top 5 predictions. The average improvement of the RMSD to native is 4.76 A for the top 1 model and 3.05 A for the best of the top 5 ranked models when the density map is applied.
我们开发了一种新的方法,将低分辨率密度图导出的约束添加到Rosetta从头算预测方法中。该方法结合了螺旋骨架的几何约束,可以从低分辨率密度图中检测到。我们提出了一个两阶段的方法来预测一个蛋白质的骨架从一个低分辨率的地图。在第一阶段,一组可能的拓扑结构将被预测为螺旋骨架[1]。本文描述了从低分辨率密度图预测蛋白质骨架的第二阶段。开发了约束评分函数,并将其纳入Rosetta仿真过程中。整个密度图仅用于在满足约束条件的可能骨干网中进行最终选择。我们的方法测试了16个主要的α -螺旋蛋白,从50到150个残基。16种蛋白质中的12种在前1种预测和前5种预测中的最佳预测中都显示出更高的准确性。当应用密度图时,排名前1的模型的RMSD对原生的平均改进是4.76 A,排名前5的模型中的最佳模型的RMSD对原生的平均改进是3.05 A。
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引用次数: 9
INDARE - An indexed DAG of regular expressions for selecting position frequency matrices 用于选择位置频率矩阵的正则表达式的索引DAG
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425418
Meeyoung Park, Jubin Sanghvi, D. Dinakarpandian
The identification of putative motifs in biomolecular sequences or whole genomes/proteomes is frequently based on window-based scanning with position frequency matrices (PFMs). The exponential increase in the amount of sequence data and the growing number of patterns to be screened has resulted in the need for rapid screening methods. In recognition of this, we have developed the Indexed DAG of regular expressions extractor (INDARE), a tool that dynamically extracts regular expressions (REs) for each PFM in the database, and creates a directed acyclic graph of REs. The INDARE generated DAG is very effective in pruning the search space and easily outperforms the naive exhaustive sequential search approach. The method is general enough to be applicable for the identification of motifs in any domain.
生物分子序列或全基因组/蛋白质组中假定基序的鉴定通常基于位置频率矩阵(PFMs)的窗口扫描。序列数据量的指数增长和需要筛选的模式数量的增加导致了对快速筛选方法的需求。认识到这一点,我们开发了正则表达式提取器的索引DAG (INDARE),这是一个动态提取数据库中每个PFM的正则表达式(REs)的工具,并创建REs的有向无环图。INDARE生成的DAG在修剪搜索空间方面非常有效,并且很容易优于朴素的穷列顺序搜索方法。该方法具有一定的通用性,适用于任何领域的基序识别。
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引用次数: 0
Structural characterization of RNA-binding sites of proteins: Preliminary results 蛋白质rna结合位点的结构表征:初步结果
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425401
F. Towfic, Cornelia Caragea, D. Dobbs, D. Gemperline, Feihong Wu, Vasant G Honavar
We explore whether protein-RNA interfaces differ from non-interfaces in terms of their structural features and whether structural features vary according to the type of the bound RNA (e.g., mRNA, siRNA...etc), using a non-redundant dataset of 147 protein chains extracted from protein-RNA complexes in the protein data bank. Our analysis of surface roughness, solid angle and CX value of amino acid residues for each of the protein chains in the dataset shows that: The protein-RNA interface residues tend to be protruding compared to non-interface residues and tend to have higher surface roughness and exhibit moderately convex or concave solid angles. Furthermore, the protein chains in protein-RNA interfaces that contain Viral RNA and rRNA significantly differ from those that contain dsRNA, mRNA siRNA, snRNA, SRP RNA and tRNA with respect to their CX values. The results of this analysis sug gests the possibility of using such structural features to reliably identify protein-RNA interface residues when the structure of the protein is available but the structures of complexes formed by the protein with RNA are not.
我们使用从蛋白质数据库中的蛋白质-RNA复合物中提取的147个蛋白质链的非冗余数据集,探索蛋白质-RNA界面在结构特征方面是否与非界面不同,以及结构特征是否根据结合RNA的类型(例如mRNA, siRNA等)而变化。我们对数据集中每个蛋白质链的氨基酸残基的表面粗糙度、立体角和CX值进行了分析,结果表明:与非界面残基相比,蛋白质- rna界面残基倾向于突出,并且具有更高的表面粗糙度和适度的凸或凹立体角。此外,含有病毒RNA和rRNA的蛋白质-RNA界面中的蛋白质链与含有dsRNA、mRNA siRNA、snRNA、SRP RNA和tRNA的蛋白质链在CX值方面存在显著差异。这一分析的结果表明,当蛋白质的结构是可用的,而蛋白质与RNA形成的复合物的结构是不可用的,使用这种结构特征来可靠地识别蛋白质-RNA界面残基的可能性。
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引用次数: 4
Enhancing the computation of approximate solutions of the protein structure determination problem through global constraints for discrete crystal lattices 利用离散晶格的全局约束增强了蛋白质结构确定问题近似解的计算能力
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425398
A. D. Palù, Enrico Pontelli, A. Dovier
This paper investigates alternative global constraints that can be introduced in a constraint solver over discrete crystal lattices. The objective is to enhance the efficiency of lattice solvers in dealing with the construction of approximate solutions of the protein structure determination problem. The paper discusses various alternatives and provides preliminary results concerning the computational properties of the different global constraints.
本文研究了离散晶格约束解算器中可引入的可选全局约束。目的是提高晶格求解器在处理蛋白质结构确定问题的近似解的构造时的效率。本文讨论了各种备选方案,并提供了关于不同全局约束的计算特性的初步结果。
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引用次数: 2
Comparative analysis of binary logistic regression to artificial neural networks in predicting precursor sequence cleavage 二元逻辑回归与人工神经网络预测前体序列解理的比较分析
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425407
A. Tegge, S. Rodriguez-Zas, J. Sweedler, B. Southey
Bioinformatic predictions of neuropeptides resulting from enzymatic cleavages of precursors enable a range of follow-up studies that are aided by accurate predictions. A comparative study of the performance of complementary cleavage prediction models has been undertaken. Binary logistic and artificial neural network (ANN) models were created using various strategies and trained and tested on bovine and rat precursors with experimental cleavage information. Multiple criteria were used to compare 4 logistic regression models with varying properties and 8 ANN with varying structures. All models had high specificity (>90%) and sensitivity ranged from 68% to 100%. ANN based on well-represented amino acid locations performed similarly or slightly worse than networks based on all amino acid locations. Logistic parameter estimates aided in the identification of amino acids associated with cleavage. No model was superior across data sets and thus, prediction of neuropeptides should rely on multiple model specifications and comprehensive training data sets.
对前体酶裂解产生的神经肽的生物信息学预测使一系列后续研究能够得到准确预测的帮助。对互补解理预测模型的性能进行了比较研究。采用不同的策略建立了二元逻辑模型和人工神经网络模型,并对牛和大鼠前体进行了实验切割信息的训练和测试。采用多准则对4种不同性质的逻辑回归模型和8种不同结构的人工神经网络进行比较。所有模型均具有高特异性(>90%),敏感性范围为68%至100%。基于表现良好的氨基酸位置的人工神经网络的表现与基于所有氨基酸位置的网络相似或略差。逻辑参数估计有助于鉴定与卵裂有关的氨基酸。没有模型在数据集上具有优势,因此,神经肽的预测应该依赖于多个模型规格和综合训练数据集。
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引用次数: 0
A Bayesian approach for the analysis of recurrent events with chronic granulomatous disease 慢性肉芽肿病复发事件的贝叶斯分析方法
Pub Date : 2007-11-01 DOI: 10.1109/BIBMW.2007.4425414
Chi-Chang Chang
In medical decision making, the event of primary interest is recurrent, so that for a given unit the event could be observed more than once during the study. In general, the successive times between failures of human physiological systems are not necessarily identically distributed. However, if any critical deterioration is detected, then the decision of when to take the intervention, given the costs of diagnosis and therapeutics, is of fundamental importance. In this paper, Bayesian inference of a nonhomogeneous Poisson process with power law failure intensity function is used to describe the behavior of aging physiological systems with aging chronic disease. In addition, we illustrate our method with an analysis of data from a trial of immunotherapy in the treatment of chronic granulomatous disease. Finally, this paper develops a systematic way to integrate the expert's opinions which will furnish decision makers with valuable support for quality medical decision making.
在医疗决策中,主要关注的事件是反复发生的,因此对于一个给定的单位,该事件在研究期间可以被观察到不止一次。一般来说,人体生理系统故障之间的连续时间分布不一定相同。然而,如果检测到任何严重恶化,那么考虑到诊断和治疗的成本,决定何时采取干预措施是至关重要的。本文采用幂律失效强度函数的非齐次泊松过程的贝叶斯推理来描述衰老慢性疾病的衰老生理系统的行为。此外,我们用免疫疗法治疗慢性肉芽肿病的试验数据分析来说明我们的方法。最后,本文提出了一种系统的整合专家意见的方法,为决策者提供有价值的医疗决策支持。
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引用次数: 0
期刊
2007 IEEE International Conference on Bioinformatics and Biomedicine Workshops
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