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Biophysical Journal|December 24, 2013
Local partition coefficients govern solute permeability of cholesterol-containing membranesFlorian Zocher, David van der Spoel, Peter Pohl, et al.Computational and Structural Biotechnology Journal|March 21, 2024
Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheetMichelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, et al.Chemical Science|June 2, 2023
Experiment-guided molecular simulations define a heterogeneous structural ensemble for the <i>PTPN11</i> tandem SH2 domainsMichelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, et al.Biophysical Journal|July 17, 2007
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experimentsJochen S Hub, Tim Salditt, Maikel C Rheinstädter, et al.Journal of the American Chemical Society|September 7, 2010
Potentials of mean force and permeabilities for carbon dioxide, ammonia, and water flux across a Rhesus protein channel and lipid membranesJochen S Hub, Fritz K Winkler, Mike Merrick, et al.Biophysical Journal|December 16, 2010
Voltage-regulated water flux through aquaporin channels in silicoJochen S Hub, Camilo Aponte-Santamaría, Helmut Grubmüller, et al.Biophysical Journal|June 3, 2008
Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channelsGuillem Portella, Jochen S Hub, Martin D Vesper, et al.Journal of the American Chemical Society|February 6, 2014
CO2 and O2 distribution in Rubisco suggests the small subunit functions as a CO2 reservoirMichiel van Lun, Jochen S Hub, David van der Spoel, et al.The Journal of Physical Chemistry. B|June 2, 2012
Water structure-forming capabilities are temperature shifted for different modelsRoman Shevchuk, Diego Prada-Gracia, Francesco RaoThe Journal of Chemical Physics|September 7, 2013
The quest for self-consistency in hydrogen bond definitionsDiego Prada-Gracia, Roman Shevchuk, Francesco RaoPageof 11