Göttinger Graduiertenschule für Neurowissenschaften, Biophysik und Molekulare Biowissenschaften

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


  • Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger and Bert L. de Groot (2016) Accurate and rigorous prediction of the changes in protein free energies in a large-scale mutation scan. Angewandte Chemie Int. Ed. 55: 7364-7368

  • Colin A. Smith, David Ban, Supriya Pratihar, Karin Giller, Maria Paulat, Stefan Becker, Christian Griesinger, Donghan Lee and Bert L. de Groot (2016) Allosteric switch regulates protein-protein binding through collective motion. Proc. Nat. Acad. Sci. 113:3269-3274

  • Marcus Schewe, Ehsan Nematian-Ardestani, Han Sun, Mariane Musinszki, Sönke Cordeiro, Giovanna Bucci, Bert L. de Groot, Stephen J. Tucker, Markus Rapedius and Thomas Baukrowitz (2016) A Non-Canonical Voltage Sensor Controls Gating in K2P K+ Channels. Cell. 164: 937-949

  • David A. Köpfer, Chen Song, Tim Gruene, George M. Sheldrick, Ulrich Zachariae and Bert L. de Groot (2014) Ion permeation in K+ channels occurs by direct Coulomb knock-on. Science 346: 352-355

  • Servaas Michielssens, Jan Henning Peters, David Ban, Supriya Pratihar, Daniel Seeliger, Monika Sharma, Karin Giller, Thomas Michael Sabo, Stefan Becker, Donghan Lee, Christian Griesinger and Bert L. de Groot (2014) A Designed Conformational Shift To Control Protein Binding Specificity Angewandte Chemie Int. Ed. 53: 10367-10371

  • Martin Vesper andBert L. de Groot (2013) Collective Dynamics Underlying Allosteric Transitions in Hemoglobin. PLoS Comp. Biol. 9: e1003232

  • Chen Song, Conrad Weichbrodt, Evgeniy S. Salnikov, Marek Dynowski, Björn O. Forsberg, Burkhard Bechinger, Claudia Steinem, Bert L. de Groot, Ulrich Zachariae, and Kornelius Zeth (2013) Crystal structure and functional mechanism of a human antimicrobial membrane channel Proc. Nat. Acad. Sci. 110: 4586-4591

  • Camilo Aponte-Santamaria, Rodolfo Briones, Andreas D. Schenk, Thomas Walz, Bert L. de Groot (2012) Molecular driving forces defining lipid positions around aquaporin-0. Proc. Nat. Acad. Sci. 109: 44319-44325

  • 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 (2008) Recognition dynamics up to microseconds revealed from RDC derived ubiquitin ensemble in solution. Science. 320:1471-1475