Energetics and mechanism of anion permeation across formate-nitrite transporters

Por Atkovska, Kalina, Hub, Jochen S.
Publicado no Sci Rep (2017)

Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamics

Por Shevchuk, Roman, Hub, Jochen S.
Publicado no PLoS Comput Biol (2017)

Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data

Por Chen, Po-chia, Hub, Jochen S.
Publicado em 2014

Interpretation of Solution X-Ray Scattering by Explicit-Solvent Molecular Dynamics

Por Chen, Po-chia, Hub, Jochen S.
Publicado no Biophys J (2015)

WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics

Por Knight, Christopher J., Hub, Jochen S.
Publicado no Nucleic Acids Res (2015)

Does CO(2) Permeate through Aquaporin-1?

Por Hub, Jochen S., de Groot, Bert L.
Publicado em 2006

Mechanism of selectivity in aquaporins and aquaglyceroporins

Por Hub, Jochen S., de Groot, Bert L.
Publicado em 2008

Detection of Functional Modes in Protein Dynamics

Por Hub, Jochen S., de Groot, Bert L.
Publicado em 2009

Ultrafast anisotropic protein quake propagation after CO photodissociation in myoglobin

Por Brinkmann, Levin U. L., Hub, Jochen S.
Publicado no Proc Natl Acad Sci U S A (2016)

Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation

Por Hub, Jochen S., Kubitzki, Marcus B., de Groot, Bert L.
Publicado em 2010

Local Partition Coefficients Govern Solute Permeability of Cholesterol-Containing Membranes

Por Zocher, Florian, van der Spoel, David, Pohl, Peter, Hub, Jochen S.
Publicado em 2013

The Lipid Bilayer Provides a Site for Cortisone Crystallization at High Cortisone Concentrations

Por Alsop, Richard J., Khondker, Adree, Hub, Jochen S., Rheinstädter, Maikel C.
Publicado no Sci Rep (2016)

Short-Range Order and Collective Dynamics of DMPC Bilayers: A Comparison between Molecular Dynamics Simulations, X-Ray, and Neutron Scattering Experiments

Por Hub, Jochen S., Salditt, Tim, Rheinstädter, Maikel C., de Groot, Bert L.
Publicado em 2007

Not Only Enthalpy: Large Entropy Contribution to Ion Permeation Barriers in Single-File Channels

Por Portella, Guillem, Hub, Jochen S., Vesper, Martin D., de Groot, Bert L.
Publicado em 2008

Is TEA an inhibitor for human Aquaporin-1?

Por Müller, E. Matthias, Hub, Jochen S., Grubmüller, Helmut, de Groot, Bert L.
Publicado em 2008

Voltage-Regulated Water Flux through Aquaporin Channels In Silico

Por Hub, Jochen S., Aponte-Santamaría, Camilo, Grubmüller, Helmut, de Groot, Bert L.
Publicado em 2010

Atomistic simulation of ion solvation in water explains surface preference of halides

Por Caleman, Carl, Hub, Jochen S., van Maaren, Paul J., van der Spoel, David
Publicado em 2011

Partial Least-Squares Functional Mode Analysis: Application to the Membrane Proteins AQP1, Aqy1, and CLC-ec1

Por Krivobokova, Tatyana, Briones, Rodolfo, Hub, Jochen S., Munk, Axel, de Groot, Bert L.
Publicado em 2012

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Die...

Por Caleman, Carl, van Maaren, Paul J., Hong, Minyan, Hub, Jochen S., Costa, Luciano T., van der Spoel, David
Publicado em 2011

Disentangling polydispersity in the PCNA−p15(PAF) complex, a disordered, transient and multivalent macromolecular assembly

Por Cordeiro, Tiago N., Chen, Po-chia, De Biasio, Alfredo, Sibille, Nathalie, Blanco, Francisco J., Hub, Jochen S., Crehuet, Ramon, Bernadó, Pau
Publicado no Nucleic Acids Res (2017)