Computational Biophysics Group
News
Research
People
Teaching
Publications
Software
Jobs
Contact
Light
Dark
Automatic
Bert L. de Groot
Latest
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net Charge
Partial Least-Squares Functional Mode Analysis: Application to the Membrane Proteins AQP1, Aqy1, and CLC-ec1
Comment on “Molecular Selectivity in Aquaporin Channels Studied by the 3D-RISM Theory”
A Decade of Debate: Significance of CO$_2$ Permeation through Membrane Channels still Controversial
Voltage-Regulated Water Flux through Aquaporin Channels In Silico
g_wham — A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
Potentials of Mean Force and Permeabilities for Carbon Dioxide, Ammonia, and Water Flux across a Rhesus Protein Channel and Lipid Membranes
Dynamics and energetics of solute permeation through the $\textit{Plasmodium falciparum}$ aquaglyceroporin
Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation
Detection of Functional Modes in Protein Dynamics
Dynamics and Energetics of Permeation Through Aquaporins. What Do We Learn from Molecular Dynamics Simulations?
Not Only Enthalpy: Large Entropy Contribution to Ion Permeation Barriers in Single-File Channels
Mechanism of selectivity in aquaporins and aquaglyceroporins
Is TEA an inhibitor for human Aquaporin-1?
Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments
Molecular Anatomy of a Trafficking Organelle
Does CO$_2$ Permeate through Aquaporin-1?
Cite
×