Author Hub, Jochen S.

• 2012 | Journal Article
  ​ ​Large Influence of Cholesterol on Solute Partitioning into Lipid Membranes​
  Wennberg, C. L.; van der Spoel, D. & Hub, J. S.​ (2012) 
  Journal of the American Chemical Society, 134(11) pp. 5351​-5361​.​ DOI: https://doi.org/10.1021/ja211929h 
  ​Details  DOI  PMID  PMC  WoS 

• 2013 | Conference Abstract
  ​ ​Selectivity mechanism of FNT channels by potentials of mean force calculations​
  Atkovska, K. & Hub, J. S.​ (2013)
  European Biophysics Journal, 42 ​9th European-Biophysical-Societies-Association Congress​, Lisbon, PORTUGAL.
  New york​: Springer.
  ​Details  WoS 

• 2013 | Conference Abstract
  ​ ​Local Micro-Partition Coefficients Govern Solute Permeability of Cholesterol-Containing Membranes​
  Zocher, F.; Wennberg, C. L.; Pohl, P. & Hub, J. S.​ (2013)
  Biophysical Journal, 104(2) ​57th Annual Meeting of the Biophysical-Society​, Philadelphia, PA.
  Cambridge​: Cell Press.
  ​Details  WoS 

• 2013 | Conference Abstract
  ​ ​Local micro-partition coefficients govern solute permeability of cholesterol-containing membranes​
  Zocher, F.; Wennberg, L.; van der Spoel, D.; Pohl, P. & Hub, J. S.​ (2013)
  European Biophysics Journal, 42 ​9th European-Biophysical-Societies-Association Congress​, Lisbon, PORTUGAL.
  New york​: Springer.
  ​Details  WoS 

• 2013 | Conference Abstract
  ​ ​Unexpected Effects of Cholesterol on Membrane Permeability​
  Wennberg, C. L.; Zocher, F.; van der Spoel, D.; Pohl, P. & Hub, J. S.​ (2013)
  Biophysical Journal, 104(2) pp. 192A​-193A. ​57th Annual Meeting of the Biophysical-Society​, Philadelphia, PA.
  Cambridge​: Cell Press.
  ​Details  WoS 

• 2013 | Journal Article
  ​ ​Local Partition Coefficients Govern Solute Permeability of Cholesterol-Containing Membranes​
  Zocher, F.; van der Spoel, D.; Pohl, P. & Hub, J. S.​ (2013) 
  Biophysical Journal, 105(12) pp. 2760​-2770​.​ DOI: https://doi.org/10.1016/j.bpj.2013.11.003 
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• 2014 | Journal Article
  ​ ​Thermodynamics of hydronium and hydroxide surface solvation​
  Hub, J. S.; Wolf, M. G.; Caleman, C.; van Maaren, P. J.; Groenhof, G. & van der Spoel, D.​ (2014) 
  Chemical Science, 5(5) pp. 1745​-1749​.​ DOI: https://doi.org/10.1039/c3sc52862f 
  ​Details  DOI  WoS 

• 2014 | Journal Article
  ​ ​Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data​
  Chen, P.-c. & Hub, J. S.​ (2014) 
  Biophysical Journal, 107(2) pp. 435​-447​.​ DOI: https://doi.org/10.1016/j.bpj.2014.06.006 
  ​Details  DOI  PMID  PMC  WoS 

• 2014 | Journal Article
  ​ ​CO2 and O-2 Distribution in Rubisco Suggests the Small Subunit Functions as a CO2 Reservoir​
  van Lun, M.; Hub, J. S.; van der Spoel, D. & Andersson, I.​ (2014) 
  Journal of the American Chemical Society, 136(8) pp. 3165​-3171​.​ DOI: https://doi.org/10.1021/ja411579b 
  ​Details  DOI  PMID  PMC  WoS 

• 2015 | Conference Abstract
  ​ ​Energetics and Mechanism of Permeation across FNT Channels​
  Atkovska, K. & Hub, J. S.​ (2015)
  Biophysical Journal, 108(2) ​59th Annual Meeting of the Biophysical-Society​, Baltimore, MD.
  Cambridge​: Cell Press.
  ​Details  WoS 

• 2015 | Journal Article
  ​ ​Anisotropic time-resolved solution X-ray scattering patterns from explicit-solvent molecular dynamics (vol 143, 104108, 2015)​
  Brinkmann, L. U. L. & Hub, J. S.​ (2015) 
  The Journal of Chemical Physics, 143(12) art. 129901​.​ DOI: https://doi.org/10.1063/1.4932060 
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• 2015 | Conference Abstract
  ​ ​Implementing solution X-ray scattering data as active constraints in MD simulations​
  Chen, P.-C. & Hub, J. S.​ (2015)
  European Biophysics Journal, 44 ​10th European-Biophysical-Societies-Association (EBSA) European Biophysics Congress​, Dresden, GERMANY.
  New york​: Springer.
  ​Details  WoS 

• 2015 | Conference Abstract
  ​ ​Interpretation of Solution X-ray scattering Data by Explicit-Solvent Molecular Dynamics​
  Chen, P.-C.; Brinkmann, L.; Knight, C. J. & Hub, J. S.​ (2015)
  European Biophysics Journal, 44 ​10th European-Biophysical-Societies-Association (EBSA) European Biophysics Congress​, Dresden, GERMANY.
  New york​: Springer.
  ​Details  WoS 

• 2015 | Conference Abstract
  ​ ​Free Energies for Trans-Membrane Pore Formation in the Presence of Arginine-Rich Peptides from Molecular Dynamics Simulations​
  Awasthi, N. & Hub, J. S.​ (2015)
  Biophysical Journal, 108(2) ​59th Annual Meeting of the Biophysical-Society​, Baltimore, MD.
  Cambridge​: Cell Press.
  ​Details  WoS 

• 2015 | Conference Abstract
  ​ ​Interpretation of Solution X-Ray Scattering Data by Molecular Dynamics​
  Chen, P.-c.; Brinkmann, L. & Hub, J. S.​ (2015)
  Biophysical Journal, 108(2) 
  Cambridge​: Cell Press.
  ​Details  WoS 

• 2015 | Journal Article
  ​ ​Anisotropic time-resolved solution X-ray scattering patterns from explicit-solvent molecular dynamics​
  Brinkmann, L. U. L. & Hub, J. S.​ (2015) 
  The Journal of Chemical Physics, 143(10) art. 104108​.​ DOI: https://doi.org/10.1063/1.4930013 
  ​Details  DOI  PMID  PMC  WoS 

• 2015 | Journal Article
  ​ ​Interpretation of Solution X-Ray Scattering by Explicit-Solvent Molecular Dynamics​
  Chen, P.-c. & Hub, J. S.​ (2015) 
  Biophysical Journal, 108(10) pp. 2573​-2584​.​ DOI: https://doi.org/10.1016/j.bpj.2015.03.062 
  ​Details  DOI  PMID  PMC  WoS 

• 2015 | Journal Article
  ​ ​MemGen: a general web server for the setup of lipid membrane simulation systems​
  Knight, C. J. & Hub, J. S.​ (2015) 
  Bioinformatics, 31(17) pp. 2897​-2899​.​ DOI: https://doi.org/10.1093/bioinformatics/btv292 
  ​Details  DOI  PMID  PMC  WoS 

• 2015 | Journal Article
  ​ ​Structural Properties of Protein-Detergent Complexes from SAXS and MD Simulations​
  Chen, P.-c. & Hub, J. S.​ (2015) 
  The Journal of Physical Chemistry Letters, 6(24) pp. 5116​-5121​.​ DOI: https://doi.org/10.1021/acs.jpclett.5b02399 
  ​Details  DOI  PMID  PMC  WoS 

• 2015 | Journal Article | 
  ​ ​WAXSiS: a web server for the calculation of SAXS/WAXS curves based on explicit-solvent molecular dynamics​
  Knight, C. J. & Hub, J. S.​ (2015) 
  Nucleic Acids Research, 43(W1) pp. W225​-W230​.​ DOI: https://doi.org/10.1093/nar/gkv309 
  ​Details  DOI  PMID  PMC  WoS 

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