Общедоступные статьи - Jochen S HubПодробнее...
2 статьи недоступны нигде
Potential of mean force calculations of solute permeation across UT-B and AQP1: a comparison between molecular dynamics and 3D-RISM
I Ariz-Extreme, JS Hub
The Journal of Physical Chemistry B 121 (7), 1506-1519, 2017
Финансирование: German Research Foundation
Free-energy calculations of pore formation in lipid membranes
N Awasthi, JS Hub
Biomembrane Simulations, 109-124, 2019
Финансирование: German Research Foundation
79 статей доступны в некоторых источниках
Molecular anatomy of a trafficking organelle
S Takamori, M Holt, K Stenius, EA Lemke, M Grønborg, D Riedel, ...
Cell 127 (4), 831-846, 2006
Финансирование: German Research Foundation
g_wham - A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
JS Hub, BL De Groot, D Van Der Spoel
Journal of Chemical Theory and Computation 6 (12), 3713-3720, 2010
Финансирование: German Research Foundation
Force field benchmark of organic liquids: density, enthalpy of vaporization, heat capacities, surface tension, isothermal compressibility, volumetric expansion coefficient, and …
C Caleman, PJ Van Maaren, M Hong, JS Hub, LT Costa, D Van Der Spoel
Journal of chemical theory and computation 8 (1), 61-74, 2012
Финансирование: Swedish Research Council
Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge
JS Hub, BL de Groot, H Grubmüller, G Groenhof
Journal of Chemical Theory and Computation 10 (1), 381-390, 2014
Финансирование: German Research Foundation
Atomistic simulation of ion solvation in water explains surface preference of halides
C Caleman, JS Hub, PJ van Maaren, D van der Spoel
Proceedings of the National Academy of Sciences 108 (17), 6838-6842, 2011
Финансирование: Swedish Research Council
WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics
CJ Knight, JS Hub
Nucleic Acids Research 43 (W1), W225-W230, 2015
Финансирование: German Research Foundation
Validating solution ensembles from molecular dynamics simulation by wide-angle X-ray scattering data
P Chen, JS Hub
Biophysical Journal 107 (2), 435-447, 2014
Финансирование: German Research Foundation
Interpretation of solution x-ray scattering by explicit-solvent molecular dynamics
P Chen, JS Hub
Biophysical Journal 108 (10), 2573-2584, 2015
Финансирование: German Research Foundation
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes
JS Hub, FK Winkler, M Merrick, BL de Groot
Journal of the American Chemical Society 132 (38), 13251-13263, 2010
Финансирование: German Research Foundation
Interpreting solution X-ray scattering data using molecular simulations
JS Hub
Current Opinion in Structural Biology 49, 18-26, 2018
Финансирование: German Research Foundation
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, x-ray, and neutron scattering experiments
JS Hub, T Salditt, MC Rheinstädter, BL De Groot
Biophysical Journal 93 (9), 3156-3168, 2007
Финансирование: German Research Foundation
Local partition coefficients govern solute permeability of cholesterol-containing membranes
F Zocher, D van der Spoel, P Pohl, JS Hub
Biophysical Journal 105 (12), 2760-2770, 2013
Финансирование: Austrian Science Fund, German Research Foundation
MemGen: A general web server for the setup of lipid membrane simulation systems
CJ Knight, JS Hub
Bioinformatics 31 (17), 2897-2899, 2015
Финансирование: German Research Foundation
Simulations of pore formation in lipid membranes: reaction coordinates, convergence, hysteresis, and finite-size effects
N Awasthi, JS Hub
Journal of Chemical Theory and Computation, 2016
Финансирование: German Research Foundation
CO2 and O2 Distribution in Rubisco Suggests the Small Subunit Functions as a CO2 Reservoir
M Van Lun, JS Hub, D van der Spoel, I Andersson
Journal of the American Chemical Society 136 (8), 3165-3171, 2014
Финансирование: Swedish Research Council for Environment, Agricultural Sciences and Spatial …
Partial least-squares functional mode analysis: application to the membrane proteins AQP1, Aqy1, and CLC-ec1
T Krivobokova, R Briones, JS Hub, A Munk, BL de Groot
Biophysical journal 103 (4), 786-796, 2012
Финансирование: German Research Foundation
A glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target membrane insertion
P Guardado-Calvo, K Atkovska, SA Jeffers, N Grau, M Backovic, ...
Science 358 (6363), 663-667, 2017
Финансирование: German Research Foundation
Time-resolved WAXS reveals accelerated conformational changes in iodoretinal-substituted proteorhodopsin
E Malmerberg, Z Omran, JS Hub, X Li, G Katona, S Westenhoff, ...
Biophysical Journal 101 (6), 1345-1353, 2011
Финансирование: Swedish Research Council
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