His primary scientific interests are in Molecular dynamics, Biophysics, Aquaporin, Chemical physics and Protein structure. Bert L. de Groot has researched Molecular dynamics in several fields, including Test particle, Electrostatics and Bilayer. His Biophysics study combines topics from a wide range of disciplines, such as Proteins metabolism, Plasma protein binding, Biochemistry, Statistical potential and Conductance.
His biological study spans a wide range of topics, including Membrane channel, Lipid bilayer and Electrochemical gradient. His research in Chemical physics intersects with topics in Ion, Force field and Protein dynamics. Bert L. de Groot combines subjects such as Crystallography and Membrane protein with his study of Protein structure.
His scientific interests lie mostly in Molecular dynamics, Biophysics, Crystallography, Chemical physics and Membrane. His Molecular dynamics research includes themes of Protein structure, Peptide, Statistical physics and Potassium channel. The Biophysics study combines topics in areas such as Biochemistry, Aquaporin, Lipid bilayer and Permeation.
His Aquaporin research is multidisciplinary, incorporating elements of Aquaporin 4, Xenopus and Biological membrane. His work on Helix as part of general Crystallography research is often related to Side chain, thus linking different fields of science. His work carried out in the field of Chemical physics brings together such families of science as Ion, Intrinsically disordered proteins and Molecule, Force field.
His main research concerns Molecular dynamics, Biophysics, Statistical physics, Potassium channel and Membrane. His Molecular dynamics study also includes
His Protein structure research incorporates themes from Mutation, Molecular recognition, Representation, Mutant and Magic angle spinning. The various areas that Bert L. de Groot examines in his Statistical physics study include Non-equilibrium thermodynamics, Work, Free energy perturbation and Force field. His Potassium channel study integrates concerns from other disciplines, such as Ion, Chemical physics and Ion channel.
Bert L. de Groot spends much of his time researching Molecular dynamics, Biophysics, Statistical physics, Membrane and Population. His work in the fields of Molecular dynamics, such as Free energy perturbation, intersects with other areas such as Protocol. His study of Gating is a part of Biophysics.
His Membrane study incorporates themes from Selectivity, Efflux, Glycerol and Aquaporin. The Protein structure study which covers Amyloidosis that intersects with Mutation. As part of one scientific family, Bert L. de Groot deals mainly with the area of Potassium channel, narrowing it down to issues related to the Conduction pathway, and often Chemical physics and Ion channel.
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Molecular Anatomy of a Trafficking Organelle
Shigeo Takamori;Matthew Holt;Katinka Stenius;Edward A. Lemke.
Water Permeation Across Biological Membranes: Mechanism and Dynamics of Aquaporin-1 and GlpF
Bert L. de Groot;Helmut Grubmüller.
CHARMM36m: An improved force field for folded and intrinsically disordered proteins
Jing Huang;Sarah Rauscher;Grzegorz Nawrocki;Ting Ran.
Nature Methods (2017)
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.
Ligand docking and binding site analysis with PyMOL and Autodock/Vina.
Daniel Seeliger;Bert L. de Groot.
Journal of Computer-aided Molecular Design (2010)
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.
Journal of Chemical Theory and Computation (2010)
Mechanism of selectivity in aquaporins and aquaglyceroporins
Jochen S. Hub;Bert L. de Groot.
Proceedings of the National Academy of Sciences of the United States of America (2008)
Structure and function of water channels
Yoshinori Fujiyoshi;Yoshinori Fujiyoshi;Kaoru Mitsuoka;Bert L de Groot;Ansgar Philippsen.
Current Opinion in Structural Biology (2002)
The mechanism of proton exclusion in the aquaporin-1 water channel
Bert L. de Groot;Tomaso Frigato;Volkhard Helms;Helmut Grubmüller.
Journal of Molecular Biology (2003)
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.
European Biophysics Journal (2007)
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