Göttingen Graduate School for Neurosciences, Biophysics, and Molecular Biosciences
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de Groot, Bert, Prof. Dr.



  • 1999 Ph.D. (Biophysical Chemistry), University of Groningen, NL

  • 1998 -2003 Postdoc (Laboratory of Prof. H. Grubmüller, Max Planck Institute for Biophysical Chemistry, Göttingen)

  • 2004- Group leader, Computational Biomolecular Dynamics Group, Max Planck Institute for Biophysical Chemistry, Göttingen


    • Major Research Interests

    Structure-dynamics-function relationships in proteins, studied by computational techniques. In particular: molecular mechanism of water and ion channels; the use of reduced dimensionality methods to analyse and accelerate MD simulations; MD and other simulation techniques for use in structure elucidation and refinement based on experimental data (x-ray, NMR, EM); development of alternative simulation approaches like the CONCOORD method.


    Homepage Department/Research Group

    http://www.mpibpc.mpg.de/groups/de_groot/



    Selected Recent Publications



    • Saskia Villinger, Rodolfo Briones, Karin Giller, Ulrich Zachariae, Adam Lange, Bert L. de Groot, Christian Griesinger, Stefan Becker, Markus Zweckstetter.
      Functional dynamics in the voltage dependent anion channel. Proc. Nat. Acad.
      Sci. 107: 22546-22551 (2010).


    • Daniel Seeliger and Bert L. de Groot. Protein thermostability calculations using alchemical free energy simulations. Biophys. J. 98:2309-2316 (2010).


    • Jochen S. Hub and Bert L. de Groot. Detection of functional modes in protein dynamics. PLoS Comput. Biol. 5: e1000480 (2009).


    • Oliver F. Lange, Nils-Alexander Lakomek, Christophe Fares, Gunnar F. Schröder, Korvin F. A. Walter, Stefan Becker, Jens Meiler, Helmut Grubmüller, Christian Griesinger and Bert L. de Groot. Recognition dynamics up to microseconds revealed from RDC derived ubiquitin ensemble in solution. Science. 320:1471-1475 (2008).


    • Jochen S. Hub and Bert L. de Groot. Mechanism of selectivity in aquaporins and aquaglyceroporins Proc. Nat. Acad. Sci. 105:1198-1203 (2008)


    • Daniel Seeliger, Jürgen Haas, and Bert L. de Groot. Geometry-based Sampling of Conformational Transitions in Proteins. Structure 15: 1482-1492 (2007)


    • Oliver F. Lange, H. Grubmüller, and Bert L. de Groot; Molecular Dynamics Simulations of Protein G Challenge NMR-Derived Correlated Backbone Motions. Angew. Chem. Int. Ed. 44:3394-3399 (2005).


    • Bert L. de Groot, Tomaso Frigato, Volkhard Helms and Helmut Grubmüller; The mechanism of proton exclusion in the aquaporin-1 water channel. J. Mol. Biol. 333: 279-293 (2003)


    • Bert L. de Groot and Helmut Grubmüller; Water Permeation Across Biological Membranes: Mechanism and Dynamics of Aquaporin-1 and GlpF; Science 294:2353-2357 (2001)





GGNB de Groot

Address
Prof. Dr. Bert de Groot
Max Planck Institute
for Biophysical Chemistry
Computational Biomolecular Dynamics Group
Am Fassberg 11
37077 Göttingen
Germany

Tel.: +49-(0)551-201-2308
Fax: +49-(0)551-201-2302
e-mail: bgroot@gwdg.de

GGNB Affiliation
Physics of Biological and Complex S
ystems