2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)最新文献

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ProteinShop and POSE: bringing robotics and intelligent systems into the field of molecular modeling ProteinShop和POSE:将机器人和智能系统引入分子建模领域
Ting-Cheng Lu, S. Crivelli, N. Max
{"title":"ProteinShop and POSE: bringing robotics and intelligent systems into the field of molecular modeling","authors":"Ting-Cheng Lu, S. Crivelli, N. Max","doi":"10.1109/CSBW.2005.116","DOIUrl":"https://doi.org/10.1109/CSBW.2005.116","url":null,"abstract":"ProteinShop and POSE are graphical infrastructures for the interactive modeling, manipulation, optimization and analysis of molecules. They were designed to bring interactive computer graphics in the field of molecular modeling to a level not attempted by other visualization programs. To achieve that goal, we adapted inverse kinematics algorithms commonly used in robotics to permit interactive manipulation of protein structures in a natural and intuitive way.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122955674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Minimal marker sets to discriminate among seedlines 最小的标记集来区分种系
T. Hudson, A. Stapleton, Amy M. Curley
{"title":"Minimal marker sets to discriminate among seedlines","authors":"T. Hudson, A. Stapleton, Amy M. Curley","doi":"10.1109/CSBW.2005.92","DOIUrl":"https://doi.org/10.1109/CSBW.2005.92","url":null,"abstract":"Raising seeds for biological experiments is prone to error; a careful experimenter will test in the lab to verify that plants are of the intended strain. Choosing a minimal set of tests that will discriminate between all known seedlines is an instance of Minimal Test Set, a NP-complete problem. Similar biological problems, such as minimizing the number of haplotype tag SNPs, require complex nondeterministic heuristics to solve in reasonable timeframes over modest datasets. However, selecting the minimal marker set to discriminate among seedlines is less complicated than other problems considered in the literature; we show that a simple heuristic approach works well in practice. Finding all minimal sets of tests to identify 91 Zea mays recombinant inbred lines would require months of CPU time; our heuristic gives a result less than twice the minimal possible size in under five seconds, with similar performance on Arabidopsis thaliana recombinant inbred lines.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116918254","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Oscillatory dynamics in the mitogen-activated protein kinase cascade 丝裂原活化蛋白激酶级联的振荡动力学
K. Chiam, V. Bhargava, G. Rajagopal
{"title":"Oscillatory dynamics in the mitogen-activated protein kinase cascade","authors":"K. Chiam, V. Bhargava, G. Rajagopal","doi":"10.1109/CSBW.2005.102","DOIUrl":"https://doi.org/10.1109/CSBW.2005.102","url":null,"abstract":"We have used quantitative modeling of signaling networks to show that the mitogen-activated protein kinase cascade - a highly conserved signaling network in eukaryotes - can functions as a low-pass filter by amplifying low-frequency oscillations and attenuating high-frequency oscillations. This filtering function of the kinase cascade is in addition to other known functions such as being an ultrasensitive switch. We show how this low-pass filtering regulates downstream cellular functions and cellular physiology. We also show how the presence of scaffold proteins in the kinase cascade modifies the properties of the low-pass filter. In particular, we find that the presence of scaffold proteins destroys the properties of the low-pass filtering, and instead attenuate all oscillations. In particular, the higher the scaffold concentration, the greater the attenuation.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121558267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Protein structure prediction using physical-based global optimization and knowledge-guided fragment packing 基于物理全局优化和知识引导片段打包的蛋白质结构预测
Jinhui Ding, E. Eskow, N. Max, S. Crivelli
{"title":"Protein structure prediction using physical-based global optimization and knowledge-guided fragment packing","authors":"Jinhui Ding, E. Eskow, N. Max, S. Crivelli","doi":"10.1109/CSBW.2005.115","DOIUrl":"https://doi.org/10.1109/CSBW.2005.115","url":null,"abstract":"We describe a new method to predict the tertiary structure of new-fold proteins. Our two-phase approach combines the knowledge-based fragment-packing with the minimization of a physics-based energy function. The method is one of the few attempts to use an all-atom physics-based energy function throughout all stages of the optimization. Information from the known proteins is utilized to guide the search through the vast conformational space. We tested this method in CASP6 and it produced the best prediction on one of the new-fold targets-T238, alpha-helical protein. After CASP6, we carried out a series of experiments to test and improve our method and we found that our method performed well on alpha-helical proteins.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"3 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130196401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Computational identification and characterization of Type III secretion substrates III型分泌底物的计算鉴定和表征
E. Sakk, D. Schneider, S. Cartinhour, C. Myers, Monica Vencato, A. Collmer
{"title":"Computational identification and characterization of Type III secretion substrates","authors":"E. Sakk, D. Schneider, S. Cartinhour, C. Myers, Monica Vencato, A. Collmer","doi":"10.1109/CSBW.2005.41","DOIUrl":"https://doi.org/10.1109/CSBW.2005.41","url":null,"abstract":"Many bacterial pathogens employ a Type III secretion system (TTSS) to deliver specific proteins (or \"substrates\") into a host cytoplasm in order to interfere with defense responses and alter physiology. In this work, we present a computational formalism for characterizing the compositional properties of the Type III secretion signal. While various rule sets derived from empirical observations have been suggested, developing a consistent and comprehensive description of the TTSS signal is still of interest. This problem differs from typical signal peptide classification and identification problems (e.g. - nuclear, chloroplast, mitochondrial signal peptides) because known TTSS substrates lack the similarity expected from signal sequences involved in a similar function (e.g. -from a multiple alignment profile or signal consensus sequence). Using a training set derived from empirically verified substrate sequences in Pseudomonas syringae, we apply divergence measures derived from information theory in order to classify similar patterns and characterize the Type III signal. The TTSS characterization developed in this work leads to a diffuse targeting signal confined to the first 50 amino acids starting from the N-terminus. Finally, using the P. syringae training set, the method is applied to verify and predict substrate candidates in other organisms possessing a TTSS.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"90 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116753946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Diagnosis and biomarker identification on SELDI proteomics data by ADTBoost ADTBoost对SELDI蛋白质组学数据的诊断和生物标志物鉴定
Lu-Yong Wang, A. Chakraborty, D. Comaniciu
{"title":"Diagnosis and biomarker identification on SELDI proteomics data by ADTBoost","authors":"Lu-Yong Wang, A. Chakraborty, D. Comaniciu","doi":"10.1109/CSBW.2005.51","DOIUrl":"https://doi.org/10.1109/CSBW.2005.51","url":null,"abstract":"Clinical proteomics is an emerging field that will have great impact on molecular diagnosis, identification of disease biomarkers, drug discovery and clinical trials in the post-genomic era. Protein profiling in tissues and fluids in disease and pathological control and other proteomics techniques will play an important role in molecular diagnosis with therapeutics and personalized healthcare. We introduced a new robust diagnostic method based on ADTboost algorithm, a novel method in proteomics data analysis to improve classification accuracy. It generates classification rules, which are often smaller and easier to interpret. This method often gives most discriminative features, which can be utilized as biomarkers for diagnostic purpose. Also, it has a nice feature of providing a measure of prediction confidence. We carried out this method in Amyotrophic lateral sclerosis disease data acquired by surface enhanced laser desorption/ionization-time-of-flight mass spectrometry experiments. Our method is shown to have outstanding prediction capacity through the cross-validation, ROC analysis results and comparative study. Our molecular diagnosis method provides an efficient way to distinguish ALS disease from neurological controls. The results are expressed in a simple and straightforward alternating decision tree format or conditional format. We identified most discriminative peaks in proteomic data, which can be utilized as biomarkers for diagnosis. ADTboost is not only useful in on proteomic data classification, it can also integrate other clinical, imaging data from heterogeneous sources for early diagnosis. It will have broad application in molecular diagnosis through proteomics and personalized medicine.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"211 ","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134530028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An information fusion approach to controlling complexity in bioinformatics research 生物信息学研究中控制复杂性的信息融合方法
B. Olsson, B. Gawrońska, T. Ziemke, S. F. Andler, P. Nilsson, A. Persson
{"title":"An information fusion approach to controlling complexity in bioinformatics research","authors":"B. Olsson, B. Gawrońska, T. Ziemke, S. F. Andler, P. Nilsson, A. Persson","doi":"10.1109/CSBW.2005.22","DOIUrl":"https://doi.org/10.1109/CSBW.2005.22","url":null,"abstract":"Information Fusion (IF) is about combining, or fusing, information from different sources in order to facilitate our understanding of a complex system and thereby provide insights that could not be gained from any of the individual data sources in isolation. We argue in this paper that there is a need for applying an IF approach in bioinformatics research, since the aim of bioinformatics is to understand complex biological systems using many different data sources providing complementary views of the system. We illustrate this argument with two application examples, where IF-based bioinformatics is applied to the study of stem cell differentiation and lipid digestion, respectively. We also discuss the use of automated information extraction from text sources, which is an essential component of a bioinformatics IF approach, given the abundant literature.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"4 4","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132531898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
A general methodology for integration of microarray data 集成微阵列数据的一般方法
C. Huttenhower, O. Troyanskaya
{"title":"A general methodology for integration of microarray data","authors":"C. Huttenhower, O. Troyanskaya","doi":"10.1109/CSBW.2005.8","DOIUrl":"https://doi.org/10.1109/CSBW.2005.8","url":null,"abstract":"We present a method for the integration of microarray datasets employing a fixed structure Bayesian network. Rather than learning all interactions simultaneously, we focus on undirected functional interactions between pairs of genes. Using Expectation Maximization, we learn one set of network parameters per functional category of interest. As we integrate further processing methods and refine the network structure, we hope both to improve performance and to increase the ability of the technique to expose specific biological properties of microarrays.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"22 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115035822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sequential classification for microarray and clinical data 微阵列和临床数据的顺序分类
G. Tusch
{"title":"Sequential classification for microarray and clinical data","authors":"G. Tusch","doi":"10.1109/CSBW.2005.123","DOIUrl":"https://doi.org/10.1109/CSBW.2005.123","url":null,"abstract":"Sequential classification uses in a stepwise process only part of the data (evidence) for partial classification, i.e., classifying only objects with sufficient evidence and leaving the rest unclassified. In the following steps the procedure is repeated using additional data until all objects are classified. This is especially useful when data become available only at certain points in time, as in surgical decision making, i.e., clinical patient data, lab data, or cDNA microarray expression data from tissue samples become available before, during and after the operation. Surgeons are interested in classifying patients into low or high risk groups, which might need special measures, e.g., prolonged intensive care.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115421930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Similarity and cluster analysis algorithms for microarrays using R* trees 使用R*树的微阵列相似性和聚类分析算法
Jiaxiong Pi, Yong Shi, Zhengxin Chen
{"title":"Similarity and cluster analysis algorithms for microarrays using R* trees","authors":"Jiaxiong Pi, Yong Shi, Zhengxin Chen","doi":"10.1109/CSBW.2005.125","DOIUrl":"https://doi.org/10.1109/CSBW.2005.125","url":null,"abstract":"Similarity and cluster analysis are important aspects for analyzing microarray data. Based on our perspective of viewing microarrays as time series data, both similarity analysis and cluster analysis are carried out through indexing on time series data using R*-Trees. We have developed algorithms for similarity and cluster analysis on microarray data, and conducted experimental studies and comparative studies. First, our study shows that principle components analysis (PCA) has superiority over several other methods (such as DFT and PAA) as far as distance conservation is concerned. A similarity analysis tool based on PCA has been developed, which is able to explore less R*-Tree nodes before finding its similar counterparts and returns less false positives than other methods. In addition, we also extend R*-Tree's application to cluster analysis. With the aid of R*-Tree indexing, two clustering algorithms. KMeans-R and Hierarchy-R, are proposed as an improved version of K-Means and hierarchical clustering, respectively. Experiments for similarity search and cluster analysis based on proposed algorithms have been carried out and have shown favorable results. Experiments related to yeast cell cycle dataset are reported in this paper.","PeriodicalId":123531,"journal":{"name":"2005 IEEE Computational Systems Bioinformatics Conference - Workshops (CSBW'05)","volume":"60 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2005-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124432983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 4
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