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See detailDefective Lamin A-Rb Signaling in Hutchinson-Gilford Progeria Syndrome and Reversal by Farnesyltransferase Inhibition
Marji, Jackleen; O'Donoghue, Sean I.; McClintock, Dayle et al

in PLoS ONE (2010), 5(6),

Hutchinson-Gilford Progeria Syndrome (HGPS) is a rare premature aging disorder caused by a de novo heterozygous point mutation G608G (GGC>GGT) within exon 11 of LMNA gene encoding A-type nuclear lamins ... [more ▼]

Hutchinson-Gilford Progeria Syndrome (HGPS) is a rare premature aging disorder caused by a de novo heterozygous point mutation G608G (GGC>GGT) within exon 11 of LMNA gene encoding A-type nuclear lamins. This mutation elicits an internal deletion of 50 amino acids in the carboxyl-terminus of prelamin A. The truncated protein, progerin, retains a farnesylated cysteine at its carboxyl terminus, a modification involved in HGPS pathogenesis. Inhibition of protein farnesylation has been shown to improve abnormal nuclear morphology and phenotype in cellular and animal models of HGPS. We analyzed global gene expression changes in fibroblasts from human subjects with HGPS and found that a lamin A-Rb signaling network is a major defective regulatory axis. Treatment of fibroblasts with a protein farnesyltransferase inhibitor reversed the gene expression defects. Our study identifies Rb as a key factor in HGPS pathogenesis and suggests that its modulation could ameliorate premature aging and possibly complications of physiological aging. [less ▲]

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See detailReflect: A practical approach to web semantics
O'Donoghue, Sean I.; Horn, Heiko; Pafilis, Evangelos et al

in Journal of Web Semantics (2010), 8(2-3), 182-189

To date, adding semantic capabilities to web content usually requires considerable server-side re-engineering, thus only a tiny fraction of all web content currently has semantic annotations. Recently, we ... [more ▼]

To date, adding semantic capabilities to web content usually requires considerable server-side re-engineering, thus only a tiny fraction of all web content currently has semantic annotations. Recently, we announced Reflect (http://reflect.ws), a free service that takes a more practical approach: Reflect uses augmented browsing to allow end-users to add systematic semantic annotations to any web-page in real-time, typically within seconds. In this paper we describe the tagging process in detail and show how further entity types can be added to Reflect; we also describe how publishers and content providers can access Reflect programmatically using SOAP, REST (HTTP post), and JavaScript. Usage of Reflect has grown rapidly within the life sciences, and while currently only genes, protein and small molecule names are tagged, we plan to soon expand the scope to include a much broader range of terms (e. g., Wikipedia entries). The popularity of Reflect demonstrates the use and feasibility of letting end-users decide how and when to add semantic annotations. Ultimately, 'semantics is in the eye of the end-user', hence we believe end-user approaches such as Reflect will become increasingly important in semantic web technologies. [less ▲]

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See detailGPCRs, G-proteins, effectors and their interactions: human-gpDB, a database employing visualization tools and data integration techniques.
Satagopam, Venkata UL; Theodoropoulou, Margarita C.; Stampolakis, Christos K. et al

in Database: the Journal of Biological Databases and Curation (2010), 2010

G-protein coupled receptors (GPCRs) are a major family of membrane receptors in eukaryotic cells. They play a crucial role in the communication of a cell with the environment. Ligands bind to GPCRs on the ... [more ▼]

G-protein coupled receptors (GPCRs) are a major family of membrane receptors in eukaryotic cells. They play a crucial role in the communication of a cell with the environment. Ligands bind to GPCRs on the outside of the cell, activating them by causing a conformational change, and allowing them to bind to G-proteins. Through their interaction with G-proteins, several effector molecules are activated leading to many kinds of cellular and physiological responses. The great importance of GPCRs and their corresponding signal transduction pathways is indicated by the fact that they take part in many diverse disease processes and that a large part of efforts towards drug development today is focused on them. We present Human-gpDB, a database which currently holds information about 713 human GPCRs, 36 human G-proteins and 99 human effectors. The collection of information about the interactions between these molecules was done manually and the current version of Human-gpDB holds information for about 1663 connections between GPCRs and G-proteins and 1618 connections between G-proteins and effectors. Major advantages of Human-gpDB are the integration of several external data sources and the support of advanced visualization techniques. Human-gpDB is a simple, yet a powerful tool for researchers in the life sciences field as it integrates an up-to-date, carefully curated collection of human GPCRs, G-proteins, effectors and their interactions. The database may be a reference guide for medical and pharmaceutical research, especially in the areas of understanding human diseases and chemical and drug discovery. Database URLs: http://schneider.embl.de/human_gpdb; http://bioinformatics.biol.uoa.gr/human_gpdb/ [less ▲]

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See detailVisualization of omics data for systems biology
Gehlenborg, Nils; O'Donoghue, Sean I.; Baliga, Nitin S. et al

in Nature Methods (2010), 7(3), 56-68

High-throughput studies of biological systems are rapidly accumulating a wealth of 'omics'-scale data. Visualization is a key aspect of both the analysis and understanding of these data, and users now ... [more ▼]

High-throughput studies of biological systems are rapidly accumulating a wealth of 'omics'-scale data. Visualization is a key aspect of both the analysis and understanding of these data, and users now have many visualization methods and tools to choose from. The challenge is to create clear, meaningful and integrated visualizations that give biological insight, without being overwhelmed by the intrinsic complexity of the data. In this review, we discuss how visualization tools are being used to help interpret protein interaction, gene expression and metabolic profile data, and we highlight emerging new directions. [less ▲]

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See detailFrom experimental setup to bioinformatics: An RNAi screening platform to identify host factors involved in HIV-1 replication
Boerner, Kathleen; Hermle, Johannes; Sommer, Christoph et al

in Biotechnology Journal (2010), 5(1), 39-49

RNA interference (RNAi) has emerged as a powerful technique for studying loss-of-function phenotypes by specific down-regulation of gene expression, allowing the investigation of virus-host interactions ... [more ▼]

RNA interference (RNAi) has emerged as a powerful technique for studying loss-of-function phenotypes by specific down-regulation of gene expression, allowing the investigation of virus-host interactions by large-scale high-throughput RNAi screens. Here we present a robust and sensitive small interfering RNA screening platform consisting of an experimental setup, single-cell image and statistical analysis as well as bioinformatics. The workflow has been established to elucidate host gene functions exploited by viruses, monitoring both suppression and enhancement of viral replication simultaneously by fluorescence microscopy. The platform comprises a two-stage procedure in which potential host factors are first identified in a primary screen and afterwards re-tested in a validation screen to confirm true positive hits. Subsequent bioinformatics allows the identification of cellular genes participating in metabolic pathways and cellular networks utilised by viruses for efficient infection. Our workflow has been used to investigate host factor usage by the human immunodeficiency virus-1 (HIV-1), but can also be adapted to other viruses. Importantly, we expect that the description of the platform will guide further screening approaches for virus-host interactions. The ViroQuant-Cell Networks RNAi Screening core facility is an integral part of the recently founded BioQuant centre for systems biology at the University of Heidelberg and will provide service to external users in the near future. [less ▲]

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See detailPhenotypic profiling of the human genome by time-lapse microscopy reveals cell division genes
Neumann, Beate; Walter, Thomas; Heriche, Jean-Karim et al

in Nature (2010), 464(7289), 721-727

Despite our rapidly growing knowledge about the human genome, we do not know all of the genes required for some of the most basic functions of life. To start to fill this gap we developed a high ... [more ▼]

Despite our rapidly growing knowledge about the human genome, we do not know all of the genes required for some of the most basic functions of life. To start to fill this gap we developed a high-throughput phenotypic screening platform combining potent gene silencing by RNA interference, time-lapse microscopy and computational image processing. We carried out a genome-wide phenotypic profiling of each of the similar to 21,000 human protein-coding genes by two-day live imaging of fluorescently labelled chromosomes. Phenotypes were scored quantitatively by computational image processing, which allowed us to identify hundreds of human genes involved in diverse biological functions including cell division, migration and survival. As part of the Mitocheck consortium, this study provides an in-depth analysis of cell division phenotypes and makes the entire high-content data set available as a resource to the community. [less ▲]

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See detailNew in protein structure and function annotation: Hotspots, single nucleotide polymorphisms and the 'Deep Web'
Bromberg, Yana; Yachdav, Guy; Ofran, Yanay et al

in Current Opinion in Drug Discovery and Development (2009), 12(3), 408-419

The rapidly increasing quantity of protein sequence data continues to widen the gap between available sequences and annotations. Comparative modeling suggests some aspects of the 3D structures of ... [more ▼]

The rapidly increasing quantity of protein sequence data continues to widen the gap between available sequences and annotations. Comparative modeling suggests some aspects of the 3D structures of approximately half of all known proteins; homology- and network-based inferences annotate some aspect of function for a similar fraction of the proteome. For most known protein sequences, however, there is detailed knowledge about neither their function nor their structure. Comprehensive efforts towards the expert curation of sequence annotations have failed to meet the demand of the rapidly increasing number of available sequences. Only the automated prediction of protein function in the absence of homology can close the gap between available sequences and annotations in the foreseeable future. This review focuses on two novel methods for automated annotation, and briefly presents an outlook on how modern web software may revolutionize the field of protein sequence annotation. First, predictions of protein binding sites and functional hotspots, and the evolution of these into the most successful type of prediction of protein function from sequence will be discussed. Second, a new tool, comprehensive in silico mutagenesis, which contributes important novel predictions of function and at the same time prepares for the onset of the next sequencing revolution, will be described. While these two new sub-fields of protein prediction represent the breakthroughs that have been achieved methodologically, it will then be argued that a different development might further change the way biomedical researchers benefit from annotations: modern web software can connect the worldwide web in any browser with the 'Deep Web' (ie, proprietary data resources). The availability of this direct connection, and the resulting access to a wealth of data, may impact drug discovery and development more than any existing method that contributes to protein annotation. [less ▲]

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See detailOnTheFly: a tool for automated document-based text annotation, data linking and network generation
Pavlopoulos, Georgios A.; Pafilis, Evangelos; Kuhn, M. et al

in Bioinformatics (2009), 25(7), 977-978

OnTheFly is a web-based application that applies biological named entity recognition to enrich Microsoft Office, PDF and plain text documents. The input files are converted into the HTML format and then ... [more ▼]

OnTheFly is a web-based application that applies biological named entity recognition to enrich Microsoft Office, PDF and plain text documents. The input files are converted into the HTML format and then sent to the Reflect tagging server, which highlights biological entity names like genes, proteins and chemicals, and attaches to them JavaScript code to invoke a summary pop-up window. The window provides an overview of relevant information about the entity, such as a protein description, the domain composition, a link to the 3D structure and links to other relevant online resources. OnTheFly is also able to extract the bioentities mentioned in a set of files and to produce a graphical representation of the networks of the known and predicted associations of these entities by retrieving the information from the STITCH database. [less ▲]

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See detailGIBA: a clustering tool for detecting protein complexes
Moschopoulos, Charalampos N.; Pavlopoulos, Georgios A.; Schneider, Reinhard UL et al

in BMC Bioinformatics (2009), 10

Background: During the last years, high throughput experimental methods have been developed which generate large datasets of protein - protein interactions (PPIs). However, due to the experimental ... [more ▼]

Background: During the last years, high throughput experimental methods have been developed which generate large datasets of protein - protein interactions (PPIs). However, due to the experimental methodologies these datasets contain errors mainly in terms of false positive data sets and reducing therefore the quality of any derived information. Typically these datasets can be modeled as graphs, where vertices represent proteins and edges the pairwise PPIs, making it easy to apply automated clustering methods to detect protein complexes or other biological significant functional groupings. Methods: In this paper, a clustering tool, called GIBA (named by the first characters of its developers' nicknames), is presented. GIBA implements a two step procedure to a given dataset of protein-protein interaction data. First, a clustering algorithm is applied to the interaction data, which is then followed by a filtering step to generate the final candidate list of predicted complexes. Results: The efficiency of GIBA is demonstrated through the analysis of 6 different yeast protein interaction datasets in comparison to four other available algorithms. We compared the results of the different methods by applying five different performance measurement metrices. Moreover, the parameters of the methods that constitute the filter have been checked on how they affect the final results. Conclusion: GIBA is an effective and easy to use tool for the detection of protein complexes out of experimentally measured protein - protein interaction networks. The results show that GIBA has superior prediction accuracy than previously published methods. [less ▲]

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See detailjClust: a clustering and visualization toolbox
Pavlopoulos, Georgios A.; Moschopoulos, Charalampos N.; Hooper, Sean D. et al

in Bioinformatics (2009), 25(15), 1994-1996

jClust is a user-friendly application which provides access to a set of widely used clustering and clique finding algorithms. The toolbox allows a range of filtering procedures to be applied and is ... [more ▼]

jClust is a user-friendly application which provides access to a set of widely used clustering and clique finding algorithms. The toolbox allows a range of filtering procedures to be applied and is combined with an advanced implementation of the Medusa interactive visualization module. These implemented algorithms are k-Means, Affinity propagation, Bron-Kerbosch, MULIC, Restricted neighborhood search cluster algorithm, Markov clustering and Spectral clustering, while the supported filtering procedures are haircut, outside-inside, best neighbors and density control operations. The combination of a simple input. le format, a set of clustering and filtering algorithms linked together with the visualization tool provides a powerful tool for data analysis and information extraction. [less ▲]

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See detailReflect: augmented browsing for the life scientist
Pafilis, Evangelos; O'Donoghue, Sean I.; Jensen, Lars J. et al

in Nature Biotechnology (2009), 27(6), 508-510

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See detailA survey of visualization tools for biological network analysis.
Pavlopoulos, Georgios A.; Wegener, A. L.; Schneider, Reinhard UL

in BioData Mining (2008)

The analysis and interpretation of relationships between biological molecules, networks and concepts is becoming a major bottleneck in systems biology. Very often the pure amount of data and their ... [more ▼]

The analysis and interpretation of relationships between biological molecules, networks and concepts is becoming a major bottleneck in systems biology. Very often the pure amount of data and their heterogeneity provides a challenge for the visualization of the data. There are a wide variety of graph representations available, which most often map the data on 2D graphs to visualize biological interactions. These methods are applicable to a wide range of problems, nevertheless many of them reach a limit in terms of user friendliness when thousands of nodes and connections have to be analyzed and visualized. In this study we are reviewing visualization tools that are currently available for visualization of biological networks mainly invented in the latest past years. We comment on the functionality, the limitations and the specific strengths of these tools, and how these tools could be further developed in the direction of data integration and information sharing. [less ▲]

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See detailClustering of cognate proteins among distinct proteomes derived from multiple links to a single seed sequence.
Barbosa Da Silva, Adriano UL; Satagopam, Venkata UL; Schneider, Reinhard UL et al

in BMC bioinformatics (2008), 9

BACKGROUND: Modern proteomes evolved by modification of pre-existing ones. It is extremely important to comparative biology that related proteins be identified as members of the same cognate group, since ... [more ▼]

BACKGROUND: Modern proteomes evolved by modification of pre-existing ones. It is extremely important to comparative biology that related proteins be identified as members of the same cognate group, since a characterized putative homolog could be used to find clues about the function of uncharacterized proteins from the same group. Typically, databases of related proteins focus on those from completely-sequenced genomes. Unfortunately, relatively few organisms have had their genomes fully sequenced; accordingly, many proteins are ignored by the currently available databases of cognate proteins, despite the high amount of important genes that are functionally described only for these incomplete proteomes. RESULTS: We have developed a method to cluster cognate proteins from multiple organisms beginning with only one sequence, through connectivity saturation with that Seed sequence. We show that the generated clusters are in agreement with some other approaches based on full genome comparison. CONCLUSION: The method produced results that are as reliable as those produced by conventional clustering approaches. Generating clusters based only on individual proteins of interest is less time consuming than generating clusters for whole proteomes. [less ▲]

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See detailArena3D: visualization of biological networks in 3D
Pavlopoulos, Georgios A.; O'Donoghue, Sean I.; Satagopam, Venkata UL et al

in BMC Systems Biology (2008), 2

Background: Complexity is a key problem when visualizing biological networks; as the number of entities increases, most graphical views become incomprehensible. Our goal is to enable many thousands of ... [more ▼]

Background: Complexity is a key problem when visualizing biological networks; as the number of entities increases, most graphical views become incomprehensible. Our goal is to enable many thousands of entities to be visualized meaningfully and with high performance. Results: We present a new visualization tool, Arena3D, which introduces a new concept of staggered layers in 3D space. Related data - such as proteins, chemicals, or pathways - can be grouped onto separate layers and arranged via layout algorithms, such as Fruchterman-Reingold, distance geometry, and a novel hierarchical layout. Data on a layer can be clustered via k-means, affinity propagation, Markov clustering, neighbor joining, tree clustering, or UPGMA ('unweighted pair-group method with arithmetic mean'). A simple input format defines the name and URL for each node, and defines connections or similarity scores between pairs of nodes. The use of Arena3D is illustrated with datasets related to Huntington's disease. Conclusion: Arena3D is a user friendly visualization tool that is able to visualize biological or any other network in 3D space. It is free for academic use and runs on any platform. It can be downloaded or lunched directly from http://arena3d.org. Java3D library and Java 1.5 need to be pre-installed for the software to run. [less ▲]

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See detailSuperTarget and Matador: resources for exploring drug-target relationships
Guenther, Stefan; Kuhn, Michael; Dunkel, Mathias et al

in Nucleic Acids Research (2008), 36(SI), 919-922

The molecular basis of drug action is often not well understood. This is partly because the very abundant and diverse information generated in the past decades on drugs is hidden in millions of medical ... [more ▼]

The molecular basis of drug action is often not well understood. This is partly because the very abundant and diverse information generated in the past decades on drugs is hidden in millions of medical articles or textbooks. Therefore, we developed a one-stop data warehouse, SuperTarget that integrates drug-related information about medical indication areas, adverse drug effects, drug metabolization, pathways and Gene Ontology terms of the target proteins. An easy-to-use query interface enables the user to pose complex queries, for example to find drugs that target a certain pathway, interacting drugs that are metabolized by the same cytochrome P450 or drugs that target the same protein but are metabolized by different enzymes. Furthermore, we provide tools for 2D drug screening and sequence comparison of the targets. The database contains more than 2500 target proteins, which are annotated with about 7300 relations to 1500 drugs; the vast majority of entries have pointers to the respective literature source. A subset of these drugs has been annotated with additional binding information and indirect interactions and is available as a separate resource called Matador. SuperTarget and Matador are available at http://insilico.charite.de/supertarget and http://matador.embl.de. [less ▲]

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See detailDevelopment of SRS.php, a Simple Object Access Protocol-based library for data acquisition from integrated biological databases.
Barbosa Da Silva, Adriano UL; Pafilis, E.; Ortega, J. M. et al

in Genetics and Molecular Research (2007), 6(4), 1142-1150

Data integration has become an important task for biological database providers. The current model for data exchange among different sources simplifies the manner that distinct information is accessed by ... [more ▼]

Data integration has become an important task for biological database providers. The current model for data exchange among different sources simplifies the manner that distinct information is accessed by users. The evolution of data representation from HTML to XML enabled programs, instead of humans, to interact with biological databases. We present here SRS.php, a PHP library that can interact with the data integration Sequence Retrieval System (SRS). The library has been written using SOAP definitions, and permits the programmatic communication through webservices with the SRS. The interactions are possible by invoking the methods described in WSDL by exchanging XML messages. The current functions available in the library have been built to access specific data stored in any of the 90 different databases (such as UNIPROT, KEGG and GO) using the same query syntax format. The inclusion of the described functions in the source of scripts written in PHP enables them as webservice clients to the SRS server. The functions permit one to query the whole content of any SRS database, to list specific records in these databases, to get specific fields from the records, and to link any record among any pair of linked databases. The case study presented exemplifies the library usage to retrieve information regarding registries of a Plant Defense Mechanisms database. The Plant Defense Mechanisms database is currently being developed, and the proposal of SRS.php library usage is to enable the data acquisition for the further warehousing tasks related to its setup and maintenance. [less ▲]

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See detailForeword
Schneider, Reinhard UL; Voss, H.

in In Silico Technologies in Drug Target Identification and Validation (2006)

The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often ... [more ▼]

The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. In Silico Technologies in Drug Target Identification and Validation addresses the challenge of testing a growing number of new potential targets and reviews currently available in silico approaches for identifying and validating these targets. The book emphasizes computational tools, public and commercial databases, mathematical methods, and software for interpreting complex experimental data. The book describes how these tools are used to visualize a target structure, identify binding sites, and predict behavior. World-renowned researchers cover many topics not typically found in most informatics books, including functional annotation, siRNA design, pathways, text mining, ontologies, systems biology, database management, data pipelining, and pharmacogenomics. Covering issues that range from prescreening target selection to genetic modeling and valuable data integration, In Silico Technologies in Drug Target Identification and Validation is a self-contained and practical guide to the various computational tools that can accelerate the identification and validation stages of drug target discovery and determine the biological functionality of potential targets more effectively. [less ▲]

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See detailStatus of text-mining techniques applied to biomedical text
Erhardt, R. A. A.; Schneider, Reinhard UL; Blaschke, C.

in Drug Discovery Today (2006), 11(7-8), 315-325

Scientific progress is increasingly based on knowledge and information. Knowledge is now recognized as the driver of productivity and economic growth, leading to a new focus on the role of information in ... [more ▼]

Scientific progress is increasingly based on knowledge and information. Knowledge is now recognized as the driver of productivity and economic growth, leading to a new focus on the role of information in the decision-making process. Most scientific knowledge is registered in publications and other unstructured representations that make it difficult to use and to integrate the information with other sources (e.g. biological databases). Making a computer understand human language has proven to be a complex achievement, but there are techniques capable of detecting, distinguishing and extracting a limited number of different classes of facts. In the biomedical field, extracting information has specific problems: complex and ever-changing nomenclature (especially genes and proteins) and the limited representation of domain knowledge. [less ▲]

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See detailEnsemble and UniProt (Swiss-Prot)
Jackson, D.; Schneider, Reinhard UL

in Genomics, Proteomics and Bioinformatics (2005)

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See detailA bioinformatics perspective on proteomics: Data storage, analysis, and integration
Kremer, A.; Schneider, Reinhard UL; Terstappen, G. C.

in Bioscience Reports (2005), 25(1-2), 95-106

The field of proteomics is advancing rapidly as a result of powerful new technologies and proteomics experiments yield a vast and increasing amount of information. Data regarding protein occurrence ... [more ▼]

The field of proteomics is advancing rapidly as a result of powerful new technologies and proteomics experiments yield a vast and increasing amount of information. Data regarding protein occurrence, abundance, identity, sequence, structure, properties, and interactions need to be stored. Currently, a common standard has not yet been established and open access to results is needed for further development of robust analysis algorithms. Databases for proteomics will evolve from pure storage into knowledge resources, providing a repository for information (meta-data) which is mainly not stored in simple flat files. This review will shed light on recent steps towards the generation of a common standard in proteomics data storage and integration, but is not meant to be a comprehensive overview of all available databases and tools in the proteomics community. [less ▲]

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