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LabelHash: A Flexible and Extensible Method for Matching Structural Motifs Nature Precedings
Mark Moll; Lydia E. Kavraki.
There is an increasing number of proteins with known structure but unknown function. Determining their function would have a significant impact on understanding diseases and designing new therapeutics. Computational methods can facilitate function determination by identifying proteins that have high structural and chemical similarity. Below, we will briefly describe LabelHash, a new method for partial structure comparison. In partial structure comparison, the goal is to find the best geometric and chemical similarity between a set of 3D points called a _motif_ and a subset of a set of 3D points called the _target_. Both the motif and targets are represented as sets of labeled 3D points. A motif is ideally composed of the functionally most-relevant residues...
Tipo: Manuscript Palavras-chave: Bioinformatics.
Ano: 2008 URL: http://precedings.nature.com/documents/2199/version/1
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Using a data triangle to understand molecular nutrition Nature Precedings
Chris T. Evelo.
Until recently nutrigenomics was mainly about transcriptomics related data. That already confronted us with overwhelming analytical problems. We learned to mathematically and statistically treat genome wide expression studies and studies directed to gene expression regulation. Nutrigenomics researchers had to become bilingual speaking: English and R1 and learned to think about co-expression, clusters and false discovery rates. The latter in fact proofed to be a trap. Removing all the false positives made us loose the information we were really interested in. To understand the results of our genomics experiments we often had to confront what we were measuring with what we already knew. After all false positives are not likely to all be related to the same...
Tipo: Presentation Palavras-chave: Genetics & Genomics; Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/5689/version/1
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Towards an Open Taxonomy Nature Precedings
Roderic Page.
Taxonomy is in many ways still predigital. Most taxonomic databases are little more than digitized index cards linking names to often-cryptic bibliographic citations, oblivious to the growing volume of scientific literature that is now online. A growing fraction of taxonomic literature is becoming freely available, either through adoption of Open Access publishing models, or through digitizing efforts such as the Biodiversity Heritage Library. Yet much of the most basic information about biodiversity, namely taxonomic description, remains either behind a pay wall, or only available in paper form. This talk sketches the goal of an "Open Taxonomy." The first step towards this goal is digitally linking scientific names to the primary...
Tipo: Presentation Palavras-chave: Bioinformatics; Evolutionary Biology.
Ano: 2011 URL: http://precedings.nature.com/documents/6560/version/1
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Marked Rise in Replikin Counts in H5N1 Influenza Virus Localized to Lethality Gene p B1. Nature Precedings
Samuel Bogoch; Elenore S. Bogoch.
Abstract: Virus outbreaks have been found to be related to the concentration of a new class of genomic peptides, Replikins^1^. The eight genes of H5N1 influenza virus were analyzed for the distribution of Replikin Counts (number Replikins /100 amino acids) in 2,441 sequences from birds and humans. An increase (p<0.001) occurred from 2004 to August 2011 in one gene, pB1.
Tipo: Manuscript Palavras-chave: Biotechnology; Genetics & Genomics; Immunology; Microbiology; Molecular Cell Biology; Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/6420/version/1
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AntEpiSeeker2.0: extending epistasis detection to epistasis-associated pathway inference using ant colony optimization Nature Precedings
Yupeng Wang; Xinyu Liu; Romdhane Rekaya.
Genome-wide association studies (GWAS) have become a standard method for finding genetic variations that contribute to common, complex diseases. Recently, it is suggested that these diseases may be caused by epistatic interactions of multiple genetic variations. Although tens of software tools have been developed for epistasis detection, few are able to infer pathway importance from the identified epistatic interactions. AntEpiSeeker is originally an algorithm for detecting epistatic interactions in case-control studies, using a two-stage ant colony optimization (ACO) algorithm. We have developed AntEpiSeeker2.0, which extends the AntEpiSeeker algorithm to inference of epistasis-associated pathways, based on a natural use of the ACO pheromones. By looking...
Tipo: Manuscript Palavras-chave: Genetics & Genomics; Bioinformatics.
Ano: 2012 URL: http://precedings.nature.com/documents/6994/version/1
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Bioinformatics for Human Proteomics: Current State and Future Status Nature Precedings
Amos Bairoch.
We are entering a new era in the exploration of the human proteome.
Advances in technologies are allowing researchers to map with a much
better resolution and improved accuracy this very complex universe. Such
an exploration also requires a compendium of adequate bioinformatics
tools, data repositories and knowledge resources. We are going to describe
what are the state of the art in term of data and knowledge resources for
human proteins: from repositories of proteomics data such as PRIDE,
PeptideAtlas or Peptidome, databases such as SRMAtlas and HPA and
knowledgebase such as UniProtKB/Swiss-Prot....
Tipo: Presentation Palavras-chave: Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/5050/version/1
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Nuisance Signal in Resting-State fMRI Study Nature Precedings
Xi-Nian Zuo; Michael P. Milham.
We systematically presented various nuisance signals in resting-state fMRI (R-fMRI) dataset. First, we examined the impact of different extraction methods on the default-mode pattern seeded by posterior cingulate cortex (PCC). Second, we compared their differences in test-retest reliability. Finally, we speculated the equivalence of removing global mean signal to removing gray matter mean signal.
Tipo: Presentation Palavras-chave: Neuroscience; Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/4352/version/1
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In silico Protein Structural Modeling and Active binding site Evaluation of Streptococcus pneumoniae Nature Precedings
M. Balakrishnan; R.C. Srivastava; M. Ramachandran.
Structure function relation of glucose kinese in Streptococcus pneumoniae. However, a solved structure for _Streptococcus pneumoniae_ glucose kinese is not available at the protein data bank. Glucose kinase is a regulatory enzyme capable of adding phosphate group to glucose in the first step of streptomycin biosynthesis. The activity of glucose kinase was regulated by the Carbon Catabolite Repression system. So, we created a model of glucose kinese from _Streptococcus pnemoniae_ using the X-ray crystallography structure of glucose kinese enzymes from _Enterobacteria faecalis_ as template with Molsoft ICM v3.5 software. The model was validated using protein structure checking tools such as PROCHECK, WHAT IF: for reliability. The active site amino acid...
Tipo: Manuscript Palavras-chave: Molecular Cell Biology; Bioinformatics.
Ano: 2009 URL: http://precedings.nature.com/documents/3207/version/1
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Identification of transcription factor genes and their correlation with the high diversity of Stramenopiles Nature Precedings
Francisco Buitrago; Silvia Restrepo; Diego Riaño-Pachón.
In this study we identify, and classify into families, transcription factors (TFs) and other transcriptional regulators (TRs) in genome sequences available from the Stramenopile group. For this we exploit the presence of protein domains and their combinations to build rules in the form of boolean rules, that are specific for each family of TFs and TRs. We found a correlation between the family size and some traits that has been described to be involved in the complexity of organisms. Furthermore, we found specific gains, losses and families that shows higher abundance in different lineages, which may be involved in the regulation of specific traits for some Stramenopile species.
Tipo: Poster Palavras-chave: Bioinformatics; Evolutionary Biology.
Ano: 2012 URL: http://precedings.nature.com/documents/7002/version/1
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Metagenomic study of the human skin microbiome associated with acne Nature Precedings
Huiying Li.
The human microbiota contributes to our normal postnatal development and plays a significant role in defining our physiology. To understand the role of microbiota in human health and disease, we study the skin microbiome in pilosebaceous units (hair follicles) and its association with acne.

Acne is one of the most common skin diseases. Although its etiology still needs to be defined, a bacterial factor has been suggested in the development of the disease. In fact, antibiotic therapy targeting _Propionibacterium acnes_ has been a mainstay treatment for more than 30 years.

Our preliminary study shows that the microcomedone, a specialized skin compartment where acne arises, has a tractable...
Tipo: Marker Paper / Data Plan Palavras-chave: Genetics & Genomics; Microbiology; Bioinformatics; Data Standards.
Ano: 2010 URL: http://precedings.nature.com/documents/5305/version/1
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Differential expression analysis for sequence count data Nature Precedings
Simon Anders; Wolfgang Huber.
Motivation: High throughput nucleotide sequencing provides quantitative readouts in assays for RNA expression (RNA-Seq), protein-DNA binding (ChIP-Seq), cell counting. Statistical inference of differential signal in these data needs to take into account their natural variability throughout the dynamic range. When the number of replicates is small, error modeling is needed to achieve statistical power. 

Results: We propose an error model that uses the negative binomial distribution, with variance and mean linked by local regression, to model the null distribution of the count data. The method controls type-I error and provides good detection power.

Availability: A free open-source...
Tipo: Manuscript Palavras-chave: Genetics & Genomics; Microbiology; Bioinformatics.
Ano: 2010 URL: http://precedings.nature.com/documents/4282/version/1
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Interoperable Semantic Web services (Tutorials) Nature Precedings
Matúš Kalaš; Jon Ison.
Life-scientific Web services are increasingly available and diverse. Their semantic interoperability is crucial to enable automated workflow construction and efficient searching for the right service. At the same time, smooth programmatic access must be possible with all the main programming, scripting, or workflow languages.

This tutorial gave an introduction to the "SAWSDL":http://www.w3.org/standards/techs/sawsdl#w3c_all standard for semantic annotation of Web services and XML Schemas; the "EDAM":http://edamontology.sourceforge.net ontology for describing bioinformatics tools; and "BioXSD":http://bioxsd.org as a canonical data model for bioinformatics Web services....
Tipo: Presentation Palavras-chave: Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/5565/version/1
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Curation of NISEED, an integrative framework for the digital representation of embryonic development Nature Precedings
Delphine Dauga; Olivier Tassy; Fabrice Daian; Daniel Sobral; Patrick Lemaire.
NISEED (Network for In situ Expression and Embryological Data) is a generic infrastructure for the creation, maintenance and integration of molecular and anatomical information on model organisms. We applied it to ascidians which are marine invertebrate chordates. These animals constitute model organisms of choice for developmental biology because their embryos develop with a small number of cells and an invariant lineage, allowing their study with a cellular level of resolution. In ANISEED (Ascidian NISEED), embryogenesis of ascidian is represented at the level of the genome via functional gene annotations, cis-regulatory elements or gene expression data, at the level of the cell by representing its morphology, fates, lineage, and relations with its...
Tipo: Poster Palavras-chave: Developmental Biology; Genetics & Genomics; Bioinformatics.
Ano: 2009 URL: http://precedings.nature.com/documents/3168/version/1
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The Normal Fetal Heart Rate Study: Analysis Plan Nature Precedings
Martin Daumer; Michael Scholz; Anne-Laure Boulesteix; Stephanie Pildner von Steinburg; Sven Schiermeier; Wolfgang Hatzmann; K T M Schneider.
Recording of fetal heart rate via CTG monitoring has been routinely performed as an important part of antenatal and subpartum care for several decades. The current guidelines of the FIGO (ref1) recommend a normal range of the fetal heart rate from 110 to 150 bpm. However, there is no agreement in the medical community whether this is the correct range (ref2). We aim to address this question by computerized analysis (ref 3) of a high quality database (HQDb, ref 4) of about one billion electronically registered fetal heart rate measurements from about 10,000 pregnancies in three medical centres over seven years. In the present paper, we lay out a detailed analysis plan for this evidence-based project in the vein of the validation policy of the Sylvia Lawry...
Tipo: Manuscript Palavras-chave: Bioinformatics.
Ano: 2007 URL: http://precedings.nature.com/documents/980/version/1
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Data, Databases, and Communities Nature Precedings
Matthew Day.
Overview
* Publishing landscape and challenges
* Nature gateways and databases
* NCI-Nature Pathway Interaction Database
* A few other communication tools
Tipo: Presentation Palavras-chave: Bioinformatics.
Ano: 2009 URL: http://precedings.nature.com/documents/2884/version/1
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Network-based analyses of Huntington’s Disease Nature Precedings
Ravi K. Kalathur; Matthias E. Futschik.
The use of high-throughput technologies has provided us with large amounts of data for _Huntington's disease_ (HD), especially at the gene and protein levels. As phenotypic changes in HD may not just be due to the activity of individual genes but interrelated alterations of whole molecular networks, it is important to systematically analyse and represent accumulated data in a network-based approach.

Methods: To analyse and visualise protein interaction networks through a dedicated database to HD, we have established "HDNetDB": http://hdnetdb.sysbiolab.eu. This platform will not only help to understand molecular mechanisms better, but also assist in identifying potential molecular markers...
Tipo: Poster Palavras-chave: Neuroscience; Bioinformatics.
Ano: 2012 URL: http://precedings.nature.com/documents/7090/version/1
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Fundamentals of Molecular Biology Nature Precedings
Malay Bhattacharyya.
We present some basic concepts of molecular biology and the related open problems.
Tipo: Presentation Palavras-chave: Genetics & Genomics; Molecular Cell Biology; Bioinformatics.
Ano: 2012 URL: http://precedings.nature.com/documents/7121/version/1
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MitoWheel, visualizing the human mitochondrial genome Nature Precedings
Gábor Zsurka; Attila Csordás.
So far researchers, web users were restricted to non-intuitive and visually poor text based databases every time they wanted to take a look on the mitochondrial DNA and find a region of interest. But with MitoWheel the situation is about to change. MitoWheel is a graphical representation of the circular human mitochondrial genome available on the web at "http://mitowheel.org":http://mitowheel.org.

The human mitochondrial DNA is a 16569 basepair long, circular molecule and this very circularity is the basic idea behind MitoWheel. The mitochondrial genome can be represented with a wheel and by spinning this wheel users can quickly scan through, browse and identify the particular regions. The spinning is...
Tipo: Poster Palavras-chave: Genetics & Genomics; Bioinformatics.
Ano: 2009 URL: http://precedings.nature.com/documents/3167/version/1
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Genome Replikin Count Predicts Increased Lethality of Cancer Nature Precedings
Samuel Bogoch; Elenore S. Bogoch.
Those cancers, like thyroid and pancreatic cancer, with the lowest 5-year mortality rates, have Replikin Counts of about 20; lung and brain cancers, with the highest 5-year mortality rates, have Replikin Counts of 275 and 325 respectively; the others fall in between with approximate linearity. This is the first quantitative relationship of a genomic structure, Replikins, to 5-year mortality rates.
Tipo: Manuscript Palavras-chave: Biotechnology; Cancer; Chemistry; Genetics & Genomics; Immunology; Bioinformatics.
Ano: 2012 URL: http://precedings.nature.com/documents/7143/version/1
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CloVR-Microbe: Assembly, gene finding and functional annotation of raw sequence data from single microbial genome projects – standard operating procedure, version 1.0 Nature Precedings
Kevin Galens; James R. White; Cesar Arze; Malcolm Matalka; Michelle Gwinn Giglio; The CloVR Team; Samuel V. Angiuoli; W. Florian Fricke.
The CloVR-Microbe pipeline performs the basic processing and analysis steps required for standard microbial single-genome sequencing projects: A) Whole-genome shotgun sequence assembly; B) Identification of protein and RNA-coding genes; and C) Functional gene annotation. B) and C) are based on the IGS Annotation Engine (http://ae.igs.umaryland.edu/), which is described elsewhere (K Galens et al. submitted). The assembly component of CloVR-Microbe can be executed independently from the gene identification and annotation components. Alternatively, pre-assembled sequence contigs can be used to perform gene identifications and annotations. The pipeline input may consist of unassembled raw sequence reads from the Sanger, Roche/454 GS FLX or Illumina GAII or...
Tipo: Manuscript Palavras-chave: Biotechnology; Genetics & Genomics; Bioinformatics.
Ano: 2011 URL: http://precedings.nature.com/documents/5887/version/1
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