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Comment on “Molecular selectivity in aquaporin channels studied by the 3D-RISM theory”
Authors: Hub, J. S.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2011-06-30
Title of Journal: Journal of Physical Chemistry B
Volume: 115
Issue / Number: 25
Start Page: 8364
End Page: 8366
Document Type: Article
ID: 570313.0
A decade of debate: Significance of CO2 permeation through membrane channels still controversial.
Authors: de Groot, B. L.; Hub, J. S.
Date of Publication (YYYY-MM-DD): 2011-04-04
Title of Journal: ChemPhysChem
Volume: 12
Issue / Number: 5
Start Page: 1021
End Page: 1022
Document Type: Article
ID: 563622.0
Voltage-regulated water flux through aquaporin channels in silico.
Authors: Hub, J. S.; Aponte-Santamaria, C.; Grubmueller, H.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2010-12-15
Title of Journal: Biophysical Journal
Volume: 99
Issue / Number: 12
Start Page: L97
End Page: L99
Document Type: Article
ID: 529322.0
g_wham-A free weighted histogram analysis implementation including robust error and autocorrelation estimates.
Authors: Hub, J. S.; de Groot, B. L.; van der Spoel, D.
Date of Publication (YYYY-MM-DD): 2010-11-16
Title of Journal: Journal of Chemical Theory and Computation
Volume: 6
Issue / Number: 12
Start Page: 3713
End Page: 3720
Document Type: Article
ID: 529318.0
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranes.
Authors: Hub, J. S.; Winkler, F. K.; Merrick, M.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2010-09-29
Title of Journal: Journal of the American Chemical Society
Volume: 132
Issue / Number: 38
Start Page: 13251
End Page: 13263
Document Type: Article
ID: 521547.0
Spontaneous quaternary and tertiary T-R transitions of human hemoglobin in molecular dynamics simulation.
Authors: Hub, J. S.; Kubitzki, M. B.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2010-05-06
Title of Journal: PLoS Computational Biology
Volume: 6
Sequence Number of Article: e1000774
Document Type: Article
ID: 478491.0
Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporin.
Authors: Aponte-Santamaria, C.; Hub, J. S.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2010
Title of Journal: Physical Chemistry Chemical Physics
Volume: 12
Issue / Number: 35
Start Page: 10246
End Page: 10254
Document Type: Article
ID: 510647.0
Detection of functional modes in protein dynamics.
Authors: Hub, J. S.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2009-08
Title of Journal: PLoS Computational Biology
Volume: 5
Issue / Number: 8
Sequence Number of Article: e1000480
Document Type: Article
ID: 435689.0
 
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g_permute: Permutation-reduced phase space density compaction.
Authors: Reinhard, F.; Lange, O.; Hub, J. S.; Haas, J.; Grubmueller, H.
Date of Publication (YYYY-MM-DD): 2009-03
Title of Journal: Computer Physics Communications
Volume: 180
Issue / Number: 3
Start Page: 455
End Page: 458
Document Type: Article
ID: 428533.0
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments.
Authors: Hub, J. S.; Salditt, T.; Rheinstaedter, M. C.; de Groot, B. L.
Date of Publication (YYYY-MM-DD): 2007-11
Title of Journal: Biophysical Journal
Volume: 93
Issue / Number: 9
Start Page: 3156
End Page: 3168
Document Type: Article
ID: 324458.0
Entries: 1-10  
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