World's Best Scientists 2026 revealed!
Bert L. de Groot

Bert L. de Groot

D-Index & Metrics

Chemistry

D-Index
86
Citations
36413
World Ranking
2484
National Ranking
185

Overview

Bert L. de Groot is affiliated with the Max Planck Society in Germany. Their research primarily spans the fields of Biochemistry, Genetics and Molecular Biology, with a significant focus on Molecular Biology. Additional areas of study include Materials Chemistry, Spectroscopy, Cellular and Molecular Neuroscience, and Physiology.

Their work covers several main topics, such as:

  • Ion channel regulation and function
  • Protein Structure and Dynamics
  • Lipid Membrane Structure and Behavior
  • Computational Drug Discovery Methods
  • Mass Spectrometry Techniques and Applications
  • Neuroscience and Neuropharmacology Research
  • Electrochemical Analysis and Applications

Frequent publication venues for Bert L. de Groot include:

  • Biophysical Journal
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Nature Communications
  • Journal of Chemical Theory and Computation
  • Journal of Chemical Information and Modeling

Some of their recent papers are:

  • The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations, 2020, Journal of Computer-Aided Molecular Design
  • Visualization of the mechanosensitive ion channel MscS under membrane tension, 2021, Nature
  • Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches, 2021, Communications Chemistry
  • GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design, 2022, Journal of Chemical Information and Modeling
  • The 3D structure of lipidic fibrils of α-synuclein, 2022, Nature Communications

Frequent co-authors collaborating with Bert L. de Groot are:

  • Vytautas Gapsys
  • Wojciech Kopeć
  • Loren B. Andreas
  • Stefan Becker
  • Christian Griesinger

Best Publications

  • CHARMM36m: An improved force field for folded and intrinsically disordered proteins

    Jing Huang;Sarah Rauscher;Grzegorz Nawrocki;Ting Ran

  • Molecular Anatomy of a Trafficking Organelle

    Shigeo Takamori;Matthew Holt;Katinka Stenius;Edward A. Lemke

  • Ligand docking and binding site analysis with PyMOL and Autodock/Vina.

    Daniel Seeliger;Bert L. de Groot

  • g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates

    Jochen S. Hub;Bert L. de Groot;David van der Spoel

  • Water Permeation Across Biological Membranes: Mechanism and Dynamics of Aquaporin-1 and GlpF

    Bert L. de Groot;Helmut Grubmüller

  • Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

    Oliver F. Lange;Nils Alexander Lakomek;Christophe Farès;Gunnar F. Schröder

  • Mechanism of selectivity in aquaporins and aquaglyceroporins

    Jochen S. Hub;Bert L. de Groot

  • Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment

    Sarah Rauscher;Vytautas Gapsys;Michal J. Gajda;Markus Zweckstetter;Markus Zweckstetter;Markus Zweckstetter

  • Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments.

    Louic S. Vermeer;Bert L. de Groot;Valérie Réat;Alain Milon

  • More bang for your buck: Improved use of GPU nodes for GROMACS 2018

    Carsten Kutzner;Szilárd Páll;Martin Fechner;Ansgar Esztermann

  • Structure and function of water channels

    Yoshinori Fujiyoshi;Yoshinori Fujiyoshi;Kaoru Mitsuoka;Bert L de Groot;Ansgar Philippsen

  • AN EFFICIENT METHOD FOR SAMPLING THE ESSENTIAL SUBSPACE OF PROTEINS

    A Amadei;A.B M Linssen;B.L. de Groot;D.M.F. van Aalten

  • Ion permeation in K + channels occurs by direct Coulomb knock-on

    David A. Köpfer;Chen Song;Tim Gruene;George M. Sheldrick

  • Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations.

    Rainer A. Böckmann;Bert L. de Groot;Sergej Kakorin;Eberhard Neumann

  • The mechanism of proton exclusion in the aquaporin-1 water channel

    Bert L. de Groot;Tomaso Frigato;Volkhard Helms;Helmut Grubmüller

  • Prediction of Protein Conformational Freedom From Distance Constraints

    B.L. de Groot;D.M.F. van Aalten;Ruud Scheek;A Amadei

  • The dynamics and energetics of water permeation and proton exclusion in aquaporins.

    Bert L de Groot;Helmut Grubmüller

  • Sequential N- to C-terminal SNARE complex assembly drives priming and fusion of secretory vesicles

    Jakob B Sørensen;Katrin Wiederhold;Emil M Müller;Ira Milosevic

  • Pmx: Automated protein structure and topology generation for alchemical perturbations.

    Vytautas Gapsys;Servaas Michielssens;Daniel Seeliger;Bert L. de Groot

  • Predicting free energy changes using structural ensembles.

    Alexander Benedix;Caroline M Becker;Bert L de Groot;Amedeo Caflisch

  • Large scale relative protein ligand binding affinities using non-equilibrium alchemy

    Vytautas Gapsys;Laura Pérez-Benito;Matteo Aldeghi;Daniel Seeliger

  • Scrutinizing Molecular Mechanics Force Fields on the Submicrosecond Timescale with NMR Data

    Oliver F. Lange;David van der Spoel;Bert L. de Groot

Frequent Co-Authors

Helmut Grubmüller
Helmut Grubmüller Max Planck Society
Markus Zweckstetter
Markus Zweckstetter German Center for Neurodegenerative Diseases
Christian Griesinger
Christian Griesinger Max Planck Society
Stefan Becker
Stefan Becker Max Planck Society
Adam Lange
Adam Lange Humboldt-Universität zu Berlin
Andreas Engel
Andreas Engel University of Basel
Erik Lindahl
Erik Lindahl Stockholm University
Jan Peters
Jan Peters Technical University of Darmstadt
George M. Sheldrick
George M. Sheldrick University of Göttingen
David van der Spoel
David van der Spoel Uppsala University

If you think any of the details on this page are incorrect, let us know.

Report an issue

We appreciate your kind effort to assist us to improve this page, it would be helpful providing us with as much detail as possible in the text box below:

Related Online Degrees & Career Pathways

For students studying Chemistry in the USA, exploring related fields such as forensic science can open diverse career opportunities. Pursuing a masters in forensic psychology online offers a specialized approach that blends chemistry knowledge with psychological principles for law enforcement and legal applications.

The spectrum of forensic career paths is broad, including roles such as crime lab analysts, toxicologists, and forensic chemists. These careers often require an understanding of chemical processes used in evidence analysis and criminal investigations.

Cost is a key consideration when selecting a program. Understanding criminal justice degree price can help prospective students budget effectively, especially when balancing educational goals with financial constraints.

For those starting their journey, a 2 year criminal justice degree online provides a practical foundation. This pathway can efficiently lead to entry-level roles in forensic or law enforcement sectors while allowing continuation in higher education later.

Best Scientists Citing Bert L. de Groot

Trending Scientists

Recently Published Articles