Energetics and mechanism of anion permeation across formate-nitrite transporters

por Atkovska, Kalina, Hub, Jochen S.
Publicado 2017

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

por Shevchuk, Roman, Hub, Jochen S.
Publicado 2017

An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphatase

por Anselmi, Massimiliano, Hub, Jochen S.
Publicado 2020

Continuous millisecond conformational cycle of a DEAH box helicase reveals control of domain motions by atomic-scale transitions

por Becker, Robert A., Hub, Jochen S.
Publicado 2023

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 2015

Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc

por Ariz-Extreme, Igor, Hub, Jochen S.
Publicado 2018

Detection of Functional Modes in Protein Dynamics

por Hub, Jochen S., de Groot, Bert L.
Publicado 2009

Free energies of membrane stalk formation from a lipidomics perspective

por Poojari, Chetan S., Scherer, Katharina C., Hub, Jochen S.
Publicado 2021

Effects of Cosmetic Emulsions on the Surface Properties of Mongolian Hair

por Liu, Zhaoting, Graf, Katja, Hub, Jochen, Kellermeier, Matthias
Publicado 2022

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 2010

Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains

por Marasco, Michelangelo, Kirkpatrick, John, Carlomagno, Teresa, Hub, Jochen S., Anselmi, Massimiliano
Publicado 2023

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 2016

Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and Kinetics

por Atkovska, Kalina, Klingler, Johannes, Oberwinkler, Johannes, Keller, Sandro, Hub, Jochen S.
Publicado 2018

Ion-Induced Transient Potential Fluctuations Facilitate Pore Formation and Cation Transport through Lipid Membranes

por Roesel, David, Eremchev, Maksim, Poojari, Chetan S., Hub, Jochen S., Roke, Sylvie
Publicado 2022

Is TEA an inhibitor for human Aquaporin-1?

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

Computer simulations of protein–membrane systems

por Loschwitz, Jennifer, Olubiyi, Olujide O., Hub, Jochen S., Strodel, Birgit, Poojari, Chetan S.
Publicado 2020

Structural Determinants of Phosphopeptide Binding to the N-Terminal Src Homology 2 Domain of the SHP2 Phosphatase

por Anselmi, Massimiliano, Calligari, Paolo, Hub, Jochen S., Tartaglia, Marco, Bocchinfuso, Gianfranco, Stella, Lorenzo
Publicado 2020

How arginine derivatives alter the stability of lipid membranes: dissecting the roles of side chains, backbone and termini

por Verbeek, Sarah F., Awasthi, Neha, Teiwes, Nikolas K., Mey, Ingo, Hub, Jochen S., Janshoff, Andreas
Publicado 2021

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 2011

The structure of Prp2 bound to RNA and ADP-BeF(3) (−) reveals structural features important for RNA unwinding by DEAH-box ATPases

por Hamann, Florian, Zimmerningkat, Lars C., Becker, Robert A., Garbers, Tim B., Neumann, Piotr, Hub, Jochen S., Ficner, Ralf
Publicado 2021