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Improving the Prediction of Transcription Factor Binding Sites To
Improving the prediction of transcription factor binding sites to aid the interpretation of non-coding single nucleotide variants. Narayan Jayaram Research Department of Structural and Molecular Biology University College London A thesis submitted to University College London for the degree of Doctor of Philosophy 1 Declaration I, Narayan Jayaram confirm that the work presented in this thesis is my own. Where information has been derived from other sources, I confirm that this has been indicated in the thesis. Narayan Jayaram 2 Abstract Single nucleotide variants (SNVs) that occur in transcription factor binding sites (TFBSs) can disrupt the binding of transcription factors and alter gene expression which can cause inherited diseases and act as driver SNVs in cancer. The identification of SNVs in TFBSs has historically been challenging given the limited number of experimentally characterised TFBSs. The recent ENCODE project has resulted in the availability of ChIP-Seq data that provides genome wide sets of regions bound by transcription factors. These data have the potential to improve the identification of SNVs in TFBSs. However, as the ChIP-Seq data identify a broader range of DNA in which a transcription factor binds, computational prediction is required to identify the precise TFBS. Prediction of TFBSs involves scanning a DNA sequence with a Position Weight Matrix (PWM) using a pattern matching tool. This thesis focusses on the prediction of TFBSs by: (a) evaluating a set of locally-installable pattern-matching tools and identifying the best performing tool (FIMO), (b) using the ENCODE ChIP-Seq data to evaluate a set of de novo motif discovery tools that are used to derive PWMs which can handle large volumes of data, (c) identifying the best performing tool (rGADEM), (d) using rGADEM to generate a set of PWMs from the ENCODE ChIP-Seq data and (e) by finally checking that the selection of the best pattern matching tool is not unduly influenced by the choice of PWMs. -
Applied Category Theory for Genomics – an Initiative
Applied Category Theory for Genomics { An Initiative Yanying Wu1,2 1Centre for Neural Circuits and Behaviour, University of Oxford, UK 2Department of Physiology, Anatomy and Genetics, University of Oxford, UK 06 Sept, 2020 Abstract The ultimate secret of all lives on earth is hidden in their genomes { a totality of DNA sequences. We currently know the whole genome sequence of many organisms, while our understanding of the genome architecture on a systematic level remains rudimentary. Applied category theory opens a promising way to integrate the humongous amount of heterogeneous informations in genomics, to advance our knowledge regarding genome organization, and to provide us with a deep and holistic view of our own genomes. In this work we explain why applied category theory carries such a hope, and we move on to show how it could actually do so, albeit in baby steps. The manuscript intends to be readable to both mathematicians and biologists, therefore no prior knowledge is required from either side. arXiv:2009.02822v1 [q-bio.GN] 6 Sep 2020 1 Introduction DNA, the genetic material of all living beings on this planet, holds the secret of life. The complete set of DNA sequences in an organism constitutes its genome { the blueprint and instruction manual of that organism, be it a human or fly [1]. Therefore, genomics, which studies the contents and meaning of genomes, has been standing in the central stage of scientific research since its birth. The twentieth century witnessed three milestones of genomics research [1]. It began with the discovery of Mendel's laws of inheritance [2], sparked a climax in the middle with the reveal of DNA double helix structure [3], and ended with the accomplishment of a first draft of complete human genome sequences [4]. -
A Community Proposal to Integrate Structural
F1000Research 2020, 9(ELIXIR):278 Last updated: 11 JUN 2020 OPINION ARTICLE A community proposal to integrate structural bioinformatics activities in ELIXIR (3D-Bioinfo Community) [version 1; peer review: 1 approved, 3 approved with reservations] Christine Orengo1, Sameer Velankar2, Shoshana Wodak3, Vincent Zoete4, Alexandre M.J.J. Bonvin 5, Arne Elofsson 6, K. Anton Feenstra 7, Dietland L. Gerloff8, Thomas Hamelryck9, John M. Hancock 10, Manuela Helmer-Citterich11, Adam Hospital12, Modesto Orozco12, Anastassis Perrakis 13, Matthias Rarey14, Claudio Soares15, Joel L. Sussman16, Janet M. Thornton17, Pierre Tuffery 18, Gabor Tusnady19, Rikkert Wierenga20, Tiina Salminen21, Bohdan Schneider 22 1Structural and Molecular Biology Department, University College, London, UK 2Protein Data Bank in Europe, European Molecular Biology Laboratory, European Bioinformatics Institute, Hinxton, CB10 1SD, UK 3VIB-VUB Center for Structural Biology, Brussels, Belgium 4Department of Oncology, Lausanne University, Swiss Institute of Bioinformatics, Lausanne, Switzerland 5Bijvoet Center, Faculty of Science – Chemistry, Utrecht University, Utrecht, 3584CH, The Netherlands 6Science for Life Laboratory, Stockholm University, Solna, S-17121, Sweden 7Dept. Computer Science, Center for Integrative Bioinformatics VU (IBIVU), Vrije Universiteit, Amsterdam, 1081 HV, The Netherlands 8Luxembourg Centre for Systems Biomedicine, University of Luxembourg, Belvaux, L-4367, Luxembourg 9Bioinformatics center, Department of Biology, University of Copenhagen, Copenhagen, DK-2200, -
SD Gross BFI0403
Janet Thornton Bioinformatician avant la lettre Michael Gross B ioinformatics is very much a buzzword of our time, with new courses and institutes dedicated to it sprouting up almost everywhere. Most significantly, the flood of genome data has raised the gen- eral awareness of the need to deve-lop new computational approaches to make sense of all the raw information collected. Professor Janet Thornton, the current director of the European Bioinformatics Institute (EBI), an EMBL outpost based at the Hinxton campus near Cambridge, has been in the field even before there was a word for it. Coming to structural biology with a physics degree from the University of Nottingham, she was already involved with computer-generated structural im- ages in the 1970s, when personal comput- ers and user-friendly programs had yet to be invented. The Early Years larities. Within 15 minutes, the software From there to the EBI, her remarkable Janet Thornton can check all 2.4 billion possible re- career appears to be organised in lationships and pick the ones relevant decades. During the 1970s, she did doc- software to compare structures to each to the question at hand. In comparison toral and post-doctoral research at other, recognise known folds and spot to publicly available bioinformatics the Molecular Biophysics Laboratory in new ones. Such work provides both packages such as Blast or Psiblast, Oxford and at the National Institute for fundamental insights into the workings Biopendium can provide an additional Medical Research in Mill Hill, near Lon- of evolution on a molecular level, and 30 % of annotation, according to Inphar- don. -
Methodology for Predicting Semantic Annotations of Protein Sequences by Feature Extraction Derived of Statistical Contact Potentials and Continuous Wavelet Transform
Universidad Nacional de Colombia Sede Manizales Master’s Thesis Methodology for predicting semantic annotations of protein sequences by feature extraction derived of statistical contact potentials and continuous wavelet transform Author: Supervisor: Gustavo Alonso Arango Dr. Cesar German Argoty Castellanos Dominguez A thesis submitted in fulfillment of the requirements for the degree of Master’s on Engineering - Industrial Automation in the Department of Electronic, Electric Engineering and Computation Signal Processing and Recognition Group June 2014 Universidad Nacional de Colombia Sede Manizales Tesis de Maestr´ıa Metodolog´ıapara predecir la anotaci´on sem´antica de prote´ınaspor medio de extracci´on de caracter´ısticas derivadas de potenciales de contacto y transformada wavelet continua Autor: Tutor: Gustavo Alonso Arango Dr. Cesar German Argoty Castellanos Dominguez Tesis presentada en cumplimiento a los requerimientos necesarios para obtener el grado de Maestr´ıaen Ingenier´ıaen Automatizaci´onIndustrial en el Departamento de Ingenier´ıaEl´ectrica,Electr´onicay Computaci´on Grupo de Procesamiento Digital de Senales Enero 2014 UNIVERSIDAD NACIONAL DE COLOMBIA Abstract Faculty of Engineering and Architecture Department of Electronic, Electric Engineering and Computation Master’s on Engineering - Industrial Automation Methodology for predicting semantic annotations of protein sequences by feature extraction derived of statistical contact potentials and continuous wavelet transform by Gustavo Alonso Arango Argoty In this thesis, a method to predict semantic annotations of the proteins from its primary structure is proposed. The main contribution of this thesis lies in the implementation of a novel protein feature representation, which makes use of the pairwise statistical contact potentials describing the protein interactions and geometry at the atomic level. -
AI and Bioinformatics
AI Magazine Volume 25 Number 1 (2004) (© AAAI) Articles Editorial Introduction AI and Bioinformatics Janice Glasgow, Igor Jurisica, and Burkhard Rost ■ This article is an editorial introduction to the re- modern-day biology is far more complex than search discipline of bioinformatics and to the articles suggested by the simplified sketch presented in this special issue. In particular, we address the issue here. In fact, researchers in life sciences live off of how techniques from AI can be applied to many of the introduction of new concepts; the discov- the open and complex problems of modern-day mol- ecular biology. ery of exceptions; and the addition of details that usually complicate, rather than simplify, his special issue of AI Magazine focuses the overall understanding of the field. on some areas of research in bioinfor- Possibly the most rapidly growing area of re- Tmatics that have benefited from applying cent activity in bioinformatics is the analysis AI techniques. Undoubtedly, bioinformatics is of microarray data. The article by Michael Mol- a truly interdisciplinary field: Although some la, Michael Waddell, David Page, and Jude researchers continuously affect wet labs in life Shavlik (“Using Machine Learning to Design science through collaborations or provision of and Interpret Gene-Expression Microarrays”) tools, others are rooted in the theory depart- introduces some background information and ments of exact sciences (physics, chemistry, or provides a comprehensive description of how engineering) or computer sciences. This wide techniques from machine learning can be used variety creates many different perspectives and to help understand this high-dimensional and terminologies. One result of this Babel of lan- prolific gene-expression data. -
Annual Scientific Report 2013 on the Cover Structure 3Fof in the Protein Data Bank, Determined by Laponogov, I
EMBL-European Bioinformatics Institute Annual Scientific Report 2013 On the cover Structure 3fof in the Protein Data Bank, determined by Laponogov, I. et al. (2009) Structural insight into the quinolone-DNA cleavage complex of type IIA topoisomerases. Nature Structural & Molecular Biology 16, 667-669. © 2014 European Molecular Biology Laboratory This publication was produced by the External Relations team at the European Bioinformatics Institute (EMBL-EBI) A digital version of the brochure can be found at www.ebi.ac.uk/about/brochures For more information about EMBL-EBI please contact: [email protected] Contents Introduction & overview 3 Services 8 Genes, genomes and variation 8 Molecular atlas 12 Proteins and protein families 14 Molecular and cellular structures 18 Chemical biology 20 Molecular systems 22 Cross-domain tools and resources 24 Research 26 Support 32 ELIXIR 36 Facts and figures 38 Funding & resource allocation 38 Growth of core resources 40 Collaborations 42 Our staff in 2013 44 Scientific advisory committees 46 Major database collaborations 50 Publications 52 Organisation of EMBL-EBI leadership 61 2013 EMBL-EBI Annual Scientific Report 1 Foreword Welcome to EMBL-EBI’s 2013 Annual Scientific Report. Here we look back on our major achievements during the year, reflecting on the delivery of our world-class services, research, training, industry collaboration and European coordination of life-science data. The past year has been one full of exciting changes, both scientifically and organisationally. We unveiled a new website that helps users explore our resources more seamlessly, saw the publication of ground-breaking work in data storage and synthetic biology, joined the global alliance for global health, built important new relationships with our partners in industry and celebrated the launch of ELIXIR. -
Biocreative II.5 Workshop 2009 Special Session on Digital Annotations
BioCreative II.5 Workshop 2009 Special Session on Digital Annotations The purified IRF-4 was also The main role of BRCA2 shown to be capable of binding appears to involve regulating the DNA in a PU.1-dependent manner function of RAD51 in the repair by by electrophoretic mobility shift homologous recombination . analysis. brca2 irf4 We found that cells ex- Moreover, expression of pressing Olig2, Nkx2.2, and NG2 Carma1 induces phosphorylation were enriched among virus- of Bcl10 and activation of the infected, GFP-positive (GFP+) transcription factor NF-kappaB. cells. carma1 BB I O olig2 The region of VHL medi- The Rab5 effector ating interaction with HIF-1 alpha Rabaptin-5 and its isoform C R E A T I V E overlapped with a putative Rabaptin-5delta differ in their macromolecular binding site within ability to interact with the rsmallab5 the crystal structure. GTPase Rab4. vhl Translocation RCC, bearing We show that ERBB2-dependenterbb2 atf1 TFE3 or TFEB gene fusions, are Both ATF-1 homodimers and tfe3 medulloblastoma cell invasion and ATF-1/CREB heterodimers bind to recently recognized entities for prometastatic gene expression can the CRE but not to the related which risk factors have not been be blocked using the ERBB tyrosine phorbol ester response element. identified. kinase inhibitor OSI-774. C r i t i c a l A s s e s s m e n t o f I n f o r m a t i o n E x t r a c t i o n i n B i o l o g y October 7th - 9th, 2009 www.BioCreative.org BioCreative II.5 Workshop 2009 special session | Digital Annotations Auditorium of the Spanish National -
EMBO Encounters Issue43.Pdf
WINTER 2019/2020 ISSUE 43 Nine group leaders selected Meet the first EMBO Global Investigators PAGE 6 Accelerating scientific publishing EMBO publishing costs Review Commons Making our journals’ platform announced finances public PAGE 3 PAGES 10 – 11 Welcome, Young Investigators! Contract replaces stipend Marking ten years 27 group leaders join the programme EMBO Postdoctoral Fellowships EMBO Molecular Medicine receive an update celebrates anniversary PAGES 4 – 5 PAGE 7 PAGE 13 www.embo.org TABLE OF CONTENTS EMBO NEWS EMBO news Review Commons: accelerating publishing Page 3 EMBO Molecular Medicine turns ten © Marietta Schupp, EMBL Photolab Marietta Schupp, © Page 13 Editorial MBO was founded by scientists for Introducing 27 new Young Investigators scientists. This philosophy remains at Pages 4-5 Ethe heart of our organization until today. EMBO Members are vital in the running of our Meet the first EMBO Global programmes and activities: they screen appli- Accelerating scientific publishing 17 journals on board Investigators cations, interview candidates, decide on fund- Review Commons will manage the transfer of ing, and provide strategic direction. On pages EMBO and ASAPbio announced pre-journal portable review platform the manuscript, reviews, and responses to affili- Page 6 8-9 four members describe why they chose to ate journals. A consortium of seventeen journals New members meet in Heidelberg dedicate their time to an EMBO Committee across six publishers (see box) have joined the Fellowships: from stipends to contracts Pages 14 – 15 and what they took away from the experience. n December 2019, EMBO, in partnership with decide to submit their work to a journal, it will project by committing to use the Review Commons Page 7 When EMBO was created, the focus lay ASAPbio, launched Review Commons, a multi- allow editors to make efficient editorial decisions referee reports for their independent editorial deci- specifically on fostering cross-border inter- Ipublisher partnership which aims to stream- based on existing referee comments. -
Are You an Invited Speaker? a Bibliometric Analysis of Elite Groups for Scholarly Events in Bioinformatics
Are You an Invited Speaker? A Bibliometric Analysis of Elite Groups for Scholarly Events in Bioinformatics Senator Jeong, Sungin Lee, and Hong-Gee Kim Biomedical Knowledge Engineering Laboratory, Seoul National University, 28–22 YeonGeon Dong, Jongno Gu, Seoul 110–749, Korea. E-mail: {senator, sunginlee, hgkim}@snu.ac.kr Participating in scholarly events (e.g., conferences, work- evaluation, but it would be hard to claim that they have pro- shops, etc.) as an elite-group member such as an orga- vided comprehensive lists of evaluation measurements. This nizing committee chair or member, program committee article aims not to provide such lists but to add to the current chair or member, session chair, invited speaker, or award winner is beneficial to a researcher’s career develop- practices an alternative metric that complements existing per- ment.The objective of this study is to investigate whether formance measures to give a more comprehensive picture of elite-group membership for scholarly events is represen- scholars’ performance. tative of scholars’ prominence, and which elite group is By one definition (Jeong, 2008), a scholarly event is the most prestigious. We collected data about 15 global “a sequentially and spatially organized collection of schol- (excluding regional) bioinformatics scholarly events held in 2007. We sampled (via stratified random sampling) ars’ interactions with the intention of delivering and shar- participants from elite groups in each event. Then, bib- ing knowledge, exchanging research ideas, and performing liometric indicators (total citations and h index) of seven related activities.” As such, scholarly events are communica- elite groups and a non-elite group, consisting of authors tion channels from which our new evaluation tool can draw who submitted at least one paper to an event but were its supporting evidence. -
The HUPO Proteomics Standards Initiative Meeting: Towards Common Standards for Exchanging Proteomics Data Hinxton, Cambridge, UK, 19–20 October 2002
Comparative and Functional Genomics Comp Funct Genom 2003; 4: 16–19. Published online in Wiley InterScience (www.interscience.wiley.com). DOI: 10.1002/cfg.232 Feature Meeting Review: The HUPO Proteomics Standards Initiative meeting: towards common standards for exchanging proteomics data Hinxton, Cambridge, UK, 19–20 October 2002 Sandra Orchard, Paul Kersey, Henning Hermjakob* and Rolf Apweiler EMBL Outstation–European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridge, UK *Correspondence to: Abstract Henning Hermjakob, EMBL Outstation–European The Proteomics Standards Initiative (PSI) aims to define community standards Bioinformatics Institute, for data representation in proteomics and to facilitate data comparison, exchange Wellcome Trust Genome and verification. Initially the fields of protein–protein interactions (PPI) and mass Campus, Hinxton, Cambridge, spectroscopy have been targeted and the inaugural meeting of the PSI addressed the UK. questions of data storage and exchange in both of these areas. The PPI group rapidly E-mail: reached consensus as to the minimum requirements for a data exchange model; an [email protected] XML draft is now being produced. The mass spectroscopy group have achieved major advances in the definition of a required data model and working groups are currently taking these discussions further. A further meeting is planned in January 2003 to Received: 14 November 2002 advance both these projects. Copyright 2003 John Wiley & Sons, Ltd. Accepted: 14 November 2002 Keywords: proteomics; spectroscopy; protein–protein interactions Introduction process, before splitting into two working parties to address the issues facing their respective fields. The Proteomics Standards Initiative was estab- lished following a meeting in April 2002, jointly organized by HUPO and NAS, at which the urgent Protein–protein interactions (PPI) group need for standardization of proteomics data was recognized. -
The European Bioinformatics Institute in 2020: Building a Global Infrastructure of Interconnected Data Resources for the Life Sciences Charles E
Published online 8 November 2019 Nucleic Acids Research, 2020, Vol. 48, Database issue D17–D23 doi: 10.1093/nar/gkz1033 The European Bioinformatics Institute in 2020: building a global infrastructure of interconnected data resources for the life sciences Charles E. Cook *, Oana Stroe, Guy Cochrane ,EwanBirney and Rolf Apweiler European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, UK Received September 21, 2019; Revised October 18, 2019; Editorial Decision October 21, 2019; Accepted November 06, 2019 ABSTRACT ature. EMBL-EBI’s data resources collate, integrate, curate and make freely available to the public the world’s scientific Data resources at the European Bioinformatics In- data. stitute (EMBL-EBI, https://www.ebi.ac.uk/)archive, Our resources (www.ebi.ac.uk/services) include archival organize and provide added-value analysis of re- or deposition databases that store primary experimental search data produced around the world. This year’s data submitted by researchers, as well as knowledgebases update for EMBL-EBI focuses on data exchanges that integrate and add value to experimental data, with among resources, both within the institute and with many having both functions (1,2). All EMBL-EBI data re- a wider global infrastructure. Within EMBL-EBI, data sources, are open access and freely available to any user resources exchange data through a rich network of worldwide at any time, and EMBL-EBI strongly supports data flows mediated by automated systems. This net- the concept of FAIR data (findable, accessible, interopera- work ensures that users are served with as much ble, and resuable) (3).