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    Authors: Montanari, S.; Bianco, L.; Allen, B. J.; Martínez-García, P. J.; +12 Authors

    Background Both a source of diversity and the development of genomic tools, such as reference genomes and molecular markers, are equally important to enable faster progress in plant breeding. Pear (Pyrus spp.) lags far behind other fruit and nut crops in terms of employment of available genetic resources for new cultivar development. To address this gap, we designed a high-density, high-efficiency and robust single nucleotide polymorphism (SNP) array for pear, with the main objectives of conducting genetic diversity and genome-wide association studies. Results By applying a two-step design process, which consisted of the construction of a first ‘draft’ array for the screening of a small subset of samples, we were able to identify the most robust and informative SNPs to include in the Applied Biosystems™ Axiom™ Pear 70 K Genotyping Array, currently the densest SNP array for pear. Preliminary evaluation of this 70 K array in 1416 diverse pear accessions from the USDA National Clonal Germplasm Repository (NCGR) in Corvallis, OR identified 66,616 SNPs (93% of all the tiled SNPs) as high quality and polymorphic (PolyHighResolution). We further used the Axiom Pear 70 K Genotyping Array to construct high-density linkage maps in a bi-parental population, and to make a direct comparison with available genotyping-by-sequencing (GBS) data, which suggested that the SNP array is a more robust method of screening for SNPs than restriction enzyme reduced representation sequence-based genotyping. Conclusions The Axiom Pear 70 K Genotyping Array, with its high efficiency in a widely diverse panel of Pyrus species and cultivars, represents a valuable resource for a multitude of molecular studies in pear. The characterization of the USDA-NCGR collection with this array will provide important information for pear geneticists and breeders, as well as for the optimization of conservation strategies for Pyrus. Electronic supplementary material The online version of this article (10.1186/s12864-019-5712-3) contains supplementary material, which is available to authorized users.

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    BMC Genomics
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    BMC Genomics
    Article . 2019
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      BMC Genomics
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      Article . 2019
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    Authors: Strand, Allan E.; Archer, Frederick I.; Hoban, Sean M.; DePrenger-Levin, Michelle E.; +2 Authors

    AbstractSimulations are a key tool in molecular ecology for inference and forecasting, as well as for evaluating new methods. Due to growing computational power and a diversity of software with different capabilities, simulations are becoming increasingly powerful and useful. However, the widespread use of simulations by geneticists and ecologists is hindered by difficulties in understanding these softwares' complex capabilities, composing code and input files, a daunting bioinformatics barrier and a steep conceptual learning curve. skelesim (an R package) guides users in choosing appropriate simulations, setting parameters, calculating genetic summary statistics and organizing data output, in a reproducible pipeline within the R environment. skelesim is designed to be an extensible framework that can ‘wrap’ around any simulation software (inside or outside the R environment) and be extended to calculate and graph any genetic summary statistics. Currently, skelesim implements coalescent and forward‐time models available in the fastsimcoal2 and rmetasim simulation engines to produce null distributions for multiple population genetic statistics and marker types, under a variety of demographic conditions. skelesim is intended to make simulations easier while still allowing full model complexity to ensure that simulations play a fundamental role in molecular ecology investigations. skelesim can also serve as a teaching tool: demonstrating the outcomes of stochastic population genetic processes; teaching general concepts of simulations; and providing an introduction to the R environment with a user‐friendly graphical user interface (using shiny).

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    Europe PubMed Central
    Other literature type . 2016
    Data sources: PubMed Central
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    Molecular Ecology Resources
    Article . 2016 . Peer-reviewed
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    UNC Dataverse
    Article . 2017
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      Other literature type . 2016
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      Molecular Ecology Resources
      Article . 2016 . Peer-reviewed
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      UNC Dataverse
      Article . 2017
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    Authors: Buckleton, JS; Bright, JA; Gittelson, S; Moretti, TR; +4 Authors

    AbstractForensic DNA interpretation is transitioning from manual interpretation based usually on binary decision‐making toward computer‐based systems that model the probability of the profile given different explanations for it, termed probabilistic genotyping (PG). Decision‐making by laboratories to implement probability‐based interpretation should be based on scientific principles for validity and information that supports its utility, such as criteria to support admissibility. The principles behind STRmix™ are outlined in this study and include standard mathematics and modeling of peak heights and variability in those heights. All PG methods generate a likelihood ratio (LR) and require the formulation of propositions. Principles underpinning formulations of propositions include the identification of reasonably assumed contributors. Substantial data have been produced that support precision, error rate, and reliability of PG, and in particular, STRmix™. A current issue is access to the code and quality processes used while coding. There are substantial data that describe the performance, strengths, and limitations of STRmix™, one of the available PG software.

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    Journal of Forensic Sciences
    Article . 2018 . Peer-reviewed
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      Journal of Forensic Sciences
      Article . 2018 . Peer-reviewed
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    Authors: Sarwar, Dewan M.; Munarko, Yuda; Nickerson, David P.;

    ABSTRACTIn this paper we present a web-based platform enabling scientists to construct a novel epithelial transport model to investigate their hypotheses, aided by building on existing models discovered in the Physiome Model Repository (PMR). We have comprehensively annotated a cohort of epithelial transport models deposited in the PMR as a seeding collection of building blocks that are freely available for reuse. On the platform, users are able to semantically display models for visualization, graphical editing, and model assembly. In addition, we leverage web services from the European Bioinformatics Institute (EBI) to help rank similar models based on the suggestions provided by the platform. In addition to potential use in biomedical and clinical research, novice modellers could use our platform as a learning tool. The source code and links to a live demonstration of the platform are available at https://github.com/dewancse/ epithelial-modelling-platform.

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    We present a new open source software tool called BEASTling, designed to simplify the preparation of Bayesian phylogenetic analyses of linguistic data using the BEAST 2 platform. BEASTling transforms comparatively short and human-readable configuration files into the XML files used by BEAST to specify analyses. By taking advantage of Creative Commons-licensed data from the Glottolog language catalog, BEASTling allows the user to conveniently filter datasets using names for recognised language families, to impose monophyly constraints so that inferred language trees are backward compatible with Glottolog classifications, or to assign geographic location data to languages for phylogeographic analyses. Support for the emerging cross-linguistic linked data format (CLDF) permits easy incorporation of data published in cross-linguistic linked databases into analyses. BEASTling is intended to make the power of Bayesian analysis more accessible to historical linguists without strong programming backgrounds, in the hopes of encouraging communication and collaboration between those developing computational models of language evolution (who are typically not linguists) and relevant domain experts.

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    MPG.PuRe
    Article . 2017
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    MPG.PuRe
    Article . 2017
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    PLoS ONE
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    Article . 2017
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    PLoS ONE
    Article . 2017 . Peer-reviewed
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    MPG.PuRe
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    Authors: Joly Beauparlant, Charles; Lamaze, Fabien C.; Deschênes, Astrid; Samb, Rawane; +4 Authors

    ChIP-Sequencing (ChIP-Seq) provides a vast amount of information regarding the localization of proteins across the genome. The aggregation of ChIP-Seq enrichment signal in a metagene plot is an approach commonly used to summarize data complexity and to obtain a high level visual representation of the general occupancy pattern of a protein. Here we present the R package metagene, the graphical interface Imetagene and the companion package similaRpeak. Together, they provide a framework to integrate, summarize and compare the ChIP-Seq enrichment signal from complex experimental designs. Those packages identify and quantify similarities or dissimilarities in patterns between large numbers of ChIP-Seq profiles. We used metagene to investigate the differential occupancy of regulatory factors at noncoding regulatory regions (promoters and enhancers) in relation to transcriptional activity in GM12878 B-lymphocytes. The relationships between occupancy patterns and transcriptional activity suggest two different mechanisms of action for transcriptional control: i) a "gradient effect" where the regulatory factor occupancy levels follow transcription and ii) a "threshold effect" where the regulatory factor occupancy levels max out prior to reaching maximal transcription. metagene, Imetagene and similaRpeak are implemented in R under the Artistic license 2.0 and are available on Bioconductor.

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    PLoS Computational Biology
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    Authors: Islam, Syed; Sarwar, Dewan M.;

    AbstractBackgroundComputation and visualization of connectivity among the brain regions is vital for tasks such as disease identification and drug discovery. An effective visualization can aid clinicians and biologists to perform these tasks addressing a genuine research and industrial need. In this paper, we present SMT-Neurophysiology, a web-based tool in a form of an approximation to the Steiner Minimal Tree (SMT) algorithm to search neurophysiology partonomy and connectivity graph in order to find biomedically-meaningful paths that could explain, to neurologists and neuroscientists, the mechanistic relationship, for example, among specific neurophysiological examinations. We also present SMT-Genetic, a web-based tool in a form of a Genetic Algorithm (GA) to find better paths than SMT-Neurophysiology.ResultsWe introduce an approximation to the SMT algorithm to identify the most parsimonious connectivity among the brain regions of interest. We have implemented our algorithm as a highly interactive web application called SMT-Neurophysiology that enables such computation and visualization. It operates on brain region connectivity dataset curated from the Neuroscience Information Framework (NIF) for four species – human, monkey, rat and bird. We present two case studies on finding the most biomedically-meaningful solutions that identifies connections among a set of brain regions over a specific route. The case studies demonstrate that SMT-Neurophysiology is able to find connection among brain regions of interest. Furthermore, SMT-Neurophysiology is modular and generic in nature allowing the underlying connectivity graph to model any data on which the tool can operate. In order to find better connections among a set of brain regions than SMT-Neurophysiology, we have implemented a web-based tool in a form of a GA called SMT-Genetic. We present further three case studies where SMT-Genetic finds better connections among a set of brain regions than SMT-Neurophysiology. SMT-Genetic gives better connections because SMT-Genetic finds global optimum whereas SMT-Neurophysiology finds local optimum although execution time of SMT-Genetic is higher than SMT-Neurophysiology.ConclusionOur analysis would provide key insights to clinical investigators about potential mechanisms underlying a particular neurological disease. The web-based tools and the underlying data are useful to clinicians and scientists to understand neurological disease mechanisms; discover pharmacological or surgical targets; and design diagnostic or therapeutic clinical trials. The source codes and links to the live tools are available at https://github.com/dewancse/connected-brain-regions and https://github.com/dewancse/SMT-Genetic.

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    Authors: Raphael, Aggio; Silas Granato, Villas-Bôas; Katya, Ruggiero;

    Abstract Motivation: The Automated Mass Spectral Deconvolution and Identification System (AMDIS) is freeware extensively applied in metabolomics. However, datasets processed by AMDIS require extensive data correction, filtering and reshaping to create reliable datasets for further downstream analysis. Performed manually, these processes are laborious and extremely time consuming. Furthermore, manual corrections increase the chance of human error and can introduce additional technical variability to the data. Thus, an automated pipeline for curating GC-MS data is urgently needed. Results: We present the Metab R package designed to automate the pipeline for analysis of metabolomics GC-MS datasets processed by AMDIS. Availability: The Metab package, the AMDIS library and the reference ion library are available at www.metabolomics.auckland.ac.nz/index.php/downloads. Contact: k.ruggiero@auckland.ac.nz

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    Authors: Mingxun Wang; Jeremy Carver; Vanessa V. Phelan; Laura M. Sanchez; +123 Authors

    International audience; The potential of the diverse chemistries present in natural products (NP) for biotechnology and medicine remains untapped because NP databases are not searchable with raw data and the NP community has no way to share data other than in published papers. Although mass spectrometry (MS) techniques are well-suited to high-throughput characterization of NP, there is a pressing need for an infrastructure to enable sharing and curation of data. We present Global Natural Products Social Molecular Networking (GNPS; http://gnps.ucsd.edu), an open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations. Data-driven social-networking should facilitate identification of spectra and foster collaborations. We also introduce the concept of 'living data' through continuous reanalysis of deposited data.

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    Europe PubMed Central
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    UNC Dataverse
    Article . 2016
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    Nature Biotechnology
    Article . 2016 . Peer-reviewed
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    Authors: G. C. C. L. Cardenas, Raony; D. Linhares, Natália; L. Ferreira, Raquel; Pena, Sérgio D. J.;

    Whole exome and whole genome sequencing have both become widely adopted methods for investigating and diagnosing human Mendelian disorders. As pangenomic agnostic tests, they are capable of more accurate and agile diagnosis compared to traditional sequencing methods. This article describes new software called Mendel,MD, which combines multiple types of filter options and makes use of regularly updated databases to facilitate exome and genome annotation, the filtering process and the selection of candidate genes and variants for experimental validation and possible diagnosis. This tool offers a user-friendly interface, and leads clinicians through simple steps by limiting the number of candidates to achieve a final diagnosis of a medical genetics case. A useful innovation is the "1-click" method, which enables listing all the relevant variants in genes present at OMIM for perusal by clinicians. Mendel,MD was experimentally validated using clinical cases from the literature and was tested by students at the Universidade Federal de Minas Gerais, at GENE-Núcleo de Genética Médica in Brazil and at the Children's University Hospital in Dublin, Ireland. We show in this article how it can simplify and increase the speed of identifying the culprit mutation in each of the clinical cases that were received for further investigation. Mendel,MD proved to be a reliable web-based tool, being open-source and time efficient for identifying the culprit mutation in different clinical cases of patients with Mendelian Disorders. It is also freely accessible for academic users on the following URL: https://mendelmd.org.

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    PLoS Computational Biology
    Article . 2017 . Peer-reviewed
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    PLoS Computational Biology
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      PLoS Computational Biology
      Article . 2017 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Montanari, S.; Bianco, L.; Allen, B. J.; Martínez-García, P. J.; +12 Authors

    Background Both a source of diversity and the development of genomic tools, such as reference genomes and molecular markers, are equally important to enable faster progress in plant breeding. Pear (Pyrus spp.) lags far behind other fruit and nut crops in terms of employment of available genetic resources for new cultivar development. To address this gap, we designed a high-density, high-efficiency and robust single nucleotide polymorphism (SNP) array for pear, with the main objectives of conducting genetic diversity and genome-wide association studies. Results By applying a two-step design process, which consisted of the construction of a first ‘draft’ array for the screening of a small subset of samples, we were able to identify the most robust and informative SNPs to include in the Applied Biosystems™ Axiom™ Pear 70 K Genotyping Array, currently the densest SNP array for pear. Preliminary evaluation of this 70 K array in 1416 diverse pear accessions from the USDA National Clonal Germplasm Repository (NCGR) in Corvallis, OR identified 66,616 SNPs (93% of all the tiled SNPs) as high quality and polymorphic (PolyHighResolution). We further used the Axiom Pear 70 K Genotyping Array to construct high-density linkage maps in a bi-parental population, and to make a direct comparison with available genotyping-by-sequencing (GBS) data, which suggested that the SNP array is a more robust method of screening for SNPs than restriction enzyme reduced representation sequence-based genotyping. Conclusions The Axiom Pear 70 K Genotyping Array, with its high efficiency in a widely diverse panel of Pyrus species and cultivars, represents a valuable resource for a multitude of molecular studies in pear. The characterization of the USDA-NCGR collection with this array will provide important information for pear geneticists and breeders, as well as for the optimization of conservation strategies for Pyrus. Electronic supplementary material The online version of this article (10.1186/s12864-019-5712-3) contains supplementary material, which is available to authorized users.

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    BMC Genomics
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      BMC Genomics
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    Authors: Strand, Allan E.; Archer, Frederick I.; Hoban, Sean M.; DePrenger-Levin, Michelle E.; +2 Authors

    AbstractSimulations are a key tool in molecular ecology for inference and forecasting, as well as for evaluating new methods. Due to growing computational power and a diversity of software with different capabilities, simulations are becoming increasingly powerful and useful. However, the widespread use of simulations by geneticists and ecologists is hindered by difficulties in understanding these softwares' complex capabilities, composing code and input files, a daunting bioinformatics barrier and a steep conceptual learning curve. skelesim (an R package) guides users in choosing appropriate simulations, setting parameters, calculating genetic summary statistics and organizing data output, in a reproducible pipeline within the R environment. skelesim is designed to be an extensible framework that can ‘wrap’ around any simulation software (inside or outside the R environment) and be extended to calculate and graph any genetic summary statistics. Currently, skelesim implements coalescent and forward‐time models available in the fastsimcoal2 and rmetasim simulation engines to produce null distributions for multiple population genetic statistics and marker types, under a variety of demographic conditions. skelesim is intended to make simulations easier while still allowing full model complexity to ensure that simulations play a fundamental role in molecular ecology investigations. skelesim can also serve as a teaching tool: demonstrating the outcomes of stochastic population genetic processes; teaching general concepts of simulations; and providing an introduction to the R environment with a user‐friendly graphical user interface (using shiny).

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    Europe PubMed Central
    Other literature type . 2016
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    Molecular Ecology Resources
    Article . 2016 . Peer-reviewed
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    Article . 2017
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      Molecular Ecology Resources
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    Authors: Buckleton, JS; Bright, JA; Gittelson, S; Moretti, TR; +4 Authors

    AbstractForensic DNA interpretation is transitioning from manual interpretation based usually on binary decision‐making toward computer‐based systems that model the probability of the profile given different explanations for it, termed probabilistic genotyping (PG). Decision‐making by laboratories to implement probability‐based interpretation should be based on scientific principles for validity and information that supports its utility, such as criteria to support admissibility. The principles behind STRmix™ are outlined in this study and include standard mathematics and modeling of peak heights and variability in those heights. All PG methods generate a likelihood ratio (LR) and require the formulation of propositions. Principles underpinning formulations of propositions include the identification of reasonably assumed contributors. Substantial data have been produced that support precision, error rate, and reliability of PG, and in particular, STRmix™. A current issue is access to the code and quality processes used while coding. There are substantial data that describe the performance, strengths, and limitations of STRmix™, one of the available PG software.

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    Journal of Forensic Sciences
    Article . 2018 . Peer-reviewed
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      Journal of Forensic Sciences
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    Authors: Sarwar, Dewan M.; Munarko, Yuda; Nickerson, David P.;

    ABSTRACTIn this paper we present a web-based platform enabling scientists to construct a novel epithelial transport model to investigate their hypotheses, aided by building on existing models discovered in the Physiome Model Repository (PMR). We have comprehensively annotated a cohort of epithelial transport models deposited in the PMR as a seeding collection of building blocks that are freely available for reuse. On the platform, users are able to semantically display models for visualization, graphical editing, and model assembly. In addition, we leverage web services from the European Bioinformatics Institute (EBI) to help rank similar models based on the suggestions provided by the platform. In addition to potential use in biomedical and clinical research, novice modellers could use our platform as a learning tool. The source code and links to a live demonstration of the platform are available at https://github.com/dewancse/ epithelial-modelling-platform.

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    We present a new open source software tool called BEASTling, designed to simplify the preparation of Bayesian phylogenetic analyses of linguistic data using the BEAST 2 platform. BEASTling transforms comparatively short and human-readable configuration files into the XML files used by BEAST to specify analyses. By taking advantage of Creative Commons-licensed data from the Glottolog language catalog, BEASTling allows the user to conveniently filter datasets using names for recognised language families, to impose monophyly constraints so that inferred language trees are backward compatible with Glottolog classifications, or to assign geographic location data to languages for phylogeographic analyses. Support for the emerging cross-linguistic linked data format (CLDF) permits easy incorporation of data published in cross-linguistic linked databases into analyses. BEASTling is intended to make the power of Bayesian analysis more accessible to historical linguists without strong programming backgrounds, in the hopes of encouraging communication and collaboration between those developing computational models of language evolution (who are typically not linguists) and relevant domain experts.

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    Authors: Joly Beauparlant, Charles; Lamaze, Fabien C.; Deschênes, Astrid; Samb, Rawane; +4 Authors

    ChIP-Sequencing (ChIP-Seq) provides a vast amount of information regarding the localization of proteins across the genome. The aggregation of ChIP-Seq enrichment signal in a metagene plot is an approach commonly used to summarize data complexity and to obtain a high level visual representation of the general occupancy pattern of a protein. Here we present the R package metagene, the graphical interface Imetagene and the companion package similaRpeak. Together, they provide a framework to integrate, summarize and compare the ChIP-Seq enrichment signal from complex experimental designs. Those packages identify and quantify similarities or dissimilarities in patterns between large numbers of ChIP-Seq profiles. We used metagene to investigate the differential occupancy of regulatory factors at noncoding regulatory regions (promoters and enhancers) in relation to transcriptional activity in GM12878 B-lymphocytes. The relationships between occupancy patterns and transcriptional activity suggest two different mechanisms of action for transcriptional control: i) a "gradient effect" where the regulatory factor occupancy levels follow transcription and ii) a "threshold effect" where the regulatory factor occupancy levels max out prior to reaching maximal transcription. metagene, Imetagene and similaRpeak are implemented in R under the Artistic license 2.0 and are available on Bioconductor.

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    PLoS Computational Biology
    Article . 2016 . Peer-reviewed
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    PLoS Computational Biology
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    Authors: Islam, Syed; Sarwar, Dewan M.;

    AbstractBackgroundComputation and visualization of connectivity among the brain regions is vital for tasks such as disease identification and drug discovery. An effective visualization can aid clinicians and biologists to perform these tasks addressing a genuine research and industrial need. In this paper, we present SMT-Neurophysiology, a web-based tool in a form of an approximation to the Steiner Minimal Tree (SMT) algorithm to search neurophysiology partonomy and connectivity graph in order to find biomedically-meaningful paths that could explain, to neurologists and neuroscientists, the mechanistic relationship, for example, among specific neurophysiological examinations. We also present SMT-Genetic, a web-based tool in a form of a Genetic Algorithm (GA) to find better paths than SMT-Neurophysiology.ResultsWe introduce an approximation to the SMT algorithm to identify the most parsimonious connectivity among the brain regions of interest. We have implemented our algorithm as a highly interactive web application called SMT-Neurophysiology that enables such computation and visualization. It operates on brain region connectivity dataset curated from the Neuroscience Information Framework (NIF) for four species – human, monkey, rat and bird. We present two case studies on finding the most biomedically-meaningful solutions that identifies connections among a set of brain regions over a specific route. The case studies demonstrate that SMT-Neurophysiology is able to find connection among brain regions of interest. Furthermore, SMT-Neurophysiology is modular and generic in nature allowing the underlying connectivity graph to model any data on which the tool can operate. In order to find better connections among a set of brain regions than SMT-Neurophysiology, we have implemented a web-based tool in a form of a GA called SMT-Genetic. We present further three case studies where SMT-Genetic finds better connections among a set of brain regions than SMT-Neurophysiology. SMT-Genetic gives better connections because SMT-Genetic finds global optimum whereas SMT-Neurophysiology finds local optimum although execution time of SMT-Genetic is higher than SMT-Neurophysiology.ConclusionOur analysis would provide key insights to clinical investigators about potential mechanisms underlying a particular neurological disease. The web-based tools and the underlying data are useful to clinicians and scientists to understand neurological disease mechanisms; discover pharmacological or surgical targets; and design diagnostic or therapeutic clinical trials. The source codes and links to the live tools are available at https://github.com/dewancse/connected-brain-regions and https://github.com/dewancse/SMT-Genetic.

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    Authors: Raphael, Aggio; Silas Granato, Villas-Bôas; Katya, Ruggiero;

    Abstract Motivation: The Automated Mass Spectral Deconvolution and Identification System (AMDIS) is freeware extensively applied in metabolomics. However, datasets processed by AMDIS require extensive data correction, filtering and reshaping to create reliable datasets for further downstream analysis. Performed manually, these processes are laborious and extremely time consuming. Furthermore, manual corrections increase the chance of human error and can introduce additional technical variability to the data. Thus, an automated pipeline for curating GC-MS data is urgently needed. Results: We present the Metab R package designed to automate the pipeline for analysis of metabolomics GC-MS datasets processed by AMDIS. Availability: The Metab package, the AMDIS library and the reference ion library are available at www.metabolomics.auckland.ac.nz/index.php/downloads. Contact: k.ruggiero@auckland.ac.nz

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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: Mingxun Wang; Jeremy Carver; Vanessa V. Phelan; Laura M. Sanchez; +123 Authors

    International audience; The potential of the diverse chemistries present in natural products (NP) for biotechnology and medicine remains untapped because NP databases are not searchable with raw data and the NP community has no way to share data other than in published papers. Although mass spectrometry (MS) techniques are well-suited to high-throughput characterization of NP, there is a pressing need for an infrastructure to enable sharing and curation of data. We present Global Natural Products Social Molecular Networking (GNPS; http://gnps.ucsd.edu), an open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations. Data-driven social-networking should facilitate identification of spectra and foster collaborations. We also introduce the concept of 'living data' through continuous reanalysis of deposited data.

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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Europe PubMed Central
    Other literature type . 2016
    Data sources: PubMed Central
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    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
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    UNC Dataverse
    Article . 2016
    Data sources: Datacite
    Nature Biotechnology
    Article . 2016 . Peer-reviewed
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  • image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
    Authors: G. C. C. L. Cardenas, Raony; D. Linhares, Natália; L. Ferreira, Raquel; Pena, Sérgio D. J.;

    Whole exome and whole genome sequencing have both become widely adopted methods for investigating and diagnosing human Mendelian disorders. As pangenomic agnostic tests, they are capable of more accurate and agile diagnosis compared to traditional sequencing methods. This article describes new software called Mendel,MD, which combines multiple types of filter options and makes use of regularly updated databases to facilitate exome and genome annotation, the filtering process and the selection of candidate genes and variants for experimental validation and possible diagnosis. This tool offers a user-friendly interface, and leads clinicians through simple steps by limiting the number of candidates to achieve a final diagnosis of a medical genetics case. A useful innovation is the "1-click" method, which enables listing all the relevant variants in genes present at OMIM for perusal by clinicians. Mendel,MD was experimentally validated using clinical cases from the literature and was tested by students at the Universidade Federal de Minas Gerais, at GENE-Núcleo de Genética Médica in Brazil and at the Children's University Hospital in Dublin, Ireland. We show in this article how it can simplify and increase the speed of identifying the culprit mutation in each of the clinical cases that were received for further investigation. Mendel,MD proved to be a reliable web-based tool, being open-source and time efficient for identifying the culprit mutation in different clinical cases of patients with Mendelian Disorders. It is also freely accessible for academic users on the following URL: https://mendelmd.org.

    image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Europe PubMed Centra...arrow_drop_down
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    PLoS Computational Biology
    Article . 2017 . Peer-reviewed
    License: CC BY
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    PLoS Computational Biology
    Article
    License: CC BY
    Data sources: UnpayWall
    DOAJ
    Article . 2017
    Data sources: DOAJ
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      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/ Europe PubMed Centra...arrow_drop_down
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
      PLoS Computational Biology
      Article . 2017 . Peer-reviewed
      License: CC BY
      Data sources: Crossref
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      PLoS Computational Biology
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      DOAJ
      Article . 2017
      Data sources: DOAJ
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