Search

Motivation: The large variety of antimicrobial peptide (AMP) databases developed to date are characterized by a substantial overlap of data and similarity of sequences. Our goals are to analyze the levels of redundancy for all available AMP databases and use this information to build a new nonredundant sequence database. For this purpose, a new software tool is introduced. Results: A comparative study of 25 AMP databases reveals the overlap and diversity among them and the internal diversity within each database. The overlap analysis shows that only one database (Peptaibol) contains exclusive data, not present in any other, whereas all sequences in the LAMP_Patent database are included in CAMP_Patent. However, the majority of databases have their own set of unique sequences, as well as some overlap with other databases. The complete set of non-duplicate sequences comprises 16 990 cases, which is almost half of the total number of reported peptides. On the other hand, the diversity analysis identifies the most and least diverse databases and proves that all databases exhibit some level of redundancy. Finally, we present a new parallel-free software, named Dover Analyzer, developed to compute the overlap and diversity between any number of databases and compile a set of non-redundant sequences. These results are useful for selecting or building a suitable representative set of AMPs, according to specific needs. [ABSTRACT FROM AUTHOR]

Motivation: Microbiota compositions have great implications in human health, such as obesity and other conditions. As such, it is of great importance to cluster samples or taxa to visualize and discover community substructures. Graphical representation of metagenomic count data relies on two aspects, measure of dissimilarity between samples/taxa and algorithm used to estimate coordinates to study microbiota communities. UniFrac is a dissimilarity measure commonly used in metagenomic research, but it requires a phylogenetic tree. Principal coordinate analysis (PCoA) is a popular algorithm for estimating two-dimensional (2D) coordinates for graphical representation, although alternative and higher-dimensional representations may reveal underlying community substructures invisible in 2D representations. Results: We adapt a new measure of dissimilarity, penalized Kendall's s-distance, which does not depend on a phylogenetic tree, and hence more readily applicable to a wider class of problems. Further, we propose to use metric multidimensional scaling (MDS) as an alternative to PCoA for graphical representation. We then devise a novel procedure for determining the number of clusters in conjunction with PAM (mPAM). We show superior performances with higher-dimensional representations. We further demonstrate the utility of mPAM for accurate clustering analysis, especially with higher-dimensional MDS models. Applications to two human microbiota datasets illustrate greater insights into the subcommunity structure with a higher-dimensional analysis. [ABSTRACT FROM AUTHOR]

Motivation: Recent completion of the global proteomic characterization of The Cancer Genome Atlas (TCGA) colorectal cancer (CRC) cohort resulted in the first tumor dataset with complete molecular measurements at DNA, RNA and protein levels. Using CRC as a paradigm, we describe the application of the NetGestalt framework to provide easy access and interpretation of multi-omics data. Results: The NetGestalt CRC portal includes genomic, epigenomic, transcriptomic, proteomic and clinical data for the TCGA CRC cohort, data from other CRC tumor cohorts and cell lines, and existing knowledge on pathways and networks, giving a total of more than 17 million data points. The portal provides features for data query, upload, visualization and integration. These features can be flexibly combined to serve various needs of the users, maximizing the synergy among omics data, human visualization and quantitative analysis. Using three case studies, we demonstrate that the portal not only provides user-friendly data query and visualization but also enables efficient data integration within a single omics data type, across multiple omics data types, and over biological networks. [ABSTRACT FROM AUTHOR]

Summary: Two new tools on the UCSC Genome Browser web site provide improved ways of combining information from multiple datasets, optionally including the user's own custom track data and/or data from track hubs. The Data Integrator combines columns from multiple data tracks, showing all items from the first track along with overlapping items from the other tracks. The Variant Annotation Integrator is tailored to adding functional annotations to variant calls; it offers a more restricted set of underlying data tracks but adds predictions of each variant's consequences for any overlapping or nearby gene transcript. When available, it optionally adds additional annotations including effect prediction scores from dbNSFP for missense mutations, ENCODE regulatory summary tracks and conservation scores. [ABSTRACT FROM AUTHOR]

Motivation: Nonlinear dose-response models are primary tools for estimating the potency [e.g. half-maximum inhibitory concentration (IC) known as IC50] of anti-cancer drugs. We present drexplorer software, which enables biologists to evaluate replicate reproducibility, detect outlier data points, fit different models, select the best model, estimate IC values at different percentiles and assess drug-drug interactions. drexplorer serves as a computation engine within the R environment and a graphical interface for users who do not have programming backgrounds. [ABSTRACT FROM AUTHOR]