Jochen S Hub
Jochen S Hub
Professor of Computational Biophysics, Saarland University
Verifierad e-postadress på gwdg.de
TitelCiteras avÅr
Molecular anatomy of a trafficking organelle
S Takamori, M Holt, K Stenius, EA Lemke, M Grønborg, D Riedel, ...
Cell 127 (4), 831-846, 2006
18022006
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
7942010
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
4362012
Mechanism of selectivity in aquaporins and aquaglyceroporins
JS Hub, BL De Groot
Proceedings of the National Academy of Sciences 105 (4), 1198-1203, 2008
3412008
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
1802011
Large influence of cholesterol on solute partitioning into lipid membranes
CL Wennberg, D Van Der Spoel, JS Hub
Journal of the American Chemical Society 134 (11), 5351-5361, 2012
1322012
Does CO2 Permeate through Aquaporin-1?
JS Hub, BL de Groot
Biophysical journal 91 (3), 842-848, 2006
1262006
Detection of functional modes in protein dynamics
JS Hub, BL De Groot
PLoS Computational Biology 5 (8), e1000480, 2009
1202009
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
972014
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
842010
Dynamics and energetics of permeation through aquaporins. What do we learn from molecular dynamics simulations?
JS Hub, H Grubmüller, BL De Groot
Aquaporins, 57-76, 2009
802009
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
762015
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
762007
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
752014
Interpretation of solution x-ray scattering by explicit-solvent molecular dynamics
P Chen, JS Hub
Biophysical Journal 108 (10), 2573-2584, 2015
642015
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
572011
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
532012
Voltage-regulated water flux through aquaporin channels in silico
JS Hub, C Aponte-Santamaría, H Grubmüller, BL de Groot
Biophysical journal 99 (12), L97-L99, 2010
532010
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
522013
Spontaneous quaternary and tertiary TR transitions of human hemoglobin in molecular dynamics simulation
JS Hub, MB Kubitzki, BL De Groot
PLoS Computational Biology 6 (5), e1000774, 2010
512010
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Artiklar 1–20