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Visualisierung komplexer, molekularer Zusammenhänge

2D- und 3D-Moleküldarstellungen

  • Wissenschaft · Methoden
  • Published:
BIOspektrum Aims and scope

Abstract

Two-dimensional (2D) well-accepted structure diagrams convey the elemental build-up of molecules, while three-dimensional (3D) presentations show the arrangement in space and the overall shape of molecules. However, much more information can be annotated graphically: New methods show protein-ligand complexes well-arranged in 2D, annotate scoring values of docking calculations or evaluations of 3D molecule conformations and extend the standard structure diagram depiction to complex chemical patterns.

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Author information

Authors and Affiliations

  1. Zentrum für Bioinformatik, Universität Hamburg, Hamburg, Germany

    Karen T. Schomburg, Katrin Stierand & Matthias Rarey

  2. Zentrum für Bioinformatik, Universität Hamburg, Bundesstraß 4, D-20146, Hamburg, Germany

    Matthias Rarey

Authors
  1. Karen T. Schomburg
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  2. Katrin Stierand
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  3. Matthias Rarey
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Corresponding author

Correspondence to Matthias Rarey.

Additional information

Karen T. Schomburg 2004–2007 Biochemie — studium Bachelor of Science an der Ruhr-Universität Bochum. 2007–2009 Bioinformatikstudium Master of Science an der Universität Hamburg. Seit 2010 Promotion am Zentrum für Bio — informatik, Universität Hamburg.

Katrin Stierand 1998–2002 Medizinstudium an der Universität zu Köln und Universität Hamburg, 1. Staatsexamen. 2002–2005 Bioinformatikstudium an der Universität Hamburg, Diplom. 2005–2011 Promotion am Zentrum für Bioinformatik, Universität Hamburg. Seit 2012 Postdoc am Zentrum für Bioinformatik, Universität Hamburg.

Matthias Rarey 1988–1992 Informatikstudium an der Universität-GH Paderborn. 1993–1996 Promotion an der Universität Bonn. 1993–2002 wissenschaftlicher Mitarbeiter bei der GMD — Forschungszentrum Informationstechnik GmbH, Bonn, später Fraunhofer Institut für Algorithmen und Wissenschaftliches Rechnen SCAI, Sankt Augustin. 1997 und 2000 Forschungsaufenthalte bei SmithKline Beecham, Philadelphia und Roche Bioscience, Palo Alto, USA. Seit 2002 Professor an der Universität Hamburg, Direktor des Zentrums für Bioinformatik (ZBH).

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Schomburg, K.T., Stierand, K. & Rarey, M. Visualisierung komplexer, molekularer Zusammenhänge. Biospektrum 19, 146–148 (2013). https://doi.org/10.1007/s12268-013-0285-1

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  • DOI: https://doi.org/10.1007/s12268-013-0285-1

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