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Journal of the American Chemical Society|March 1, 2012
Large influence of cholesterol on solute partitioning into lipid membranesChristian L Wennberg, David van der Spoel, Jochen S HubPhysical Review Letters|April 26, 2018
Metastable Prepores in Tension-Free Lipid BilayersChristina L Ting, Neha Awasthi, Marcus Müller, et al.The Journal of Physical Chemistry Letters|November 18, 2015
Quantifying Lateral Inhomogeneity of Cholesterol-Containing MembranesCelsa Díaz-Tejada, Igor Ariz-Extreme, Neha Awasthi, et al.ACS Central Science|October 3, 2018
Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and KineticsKalina Atkovska, Johannes Klingler, Johannes Oberwinkler, et al.Angewandte Chemie (International Ed. in English)|March 14, 2018
Temperature-Dependent Atomic Models of Detergent Micelles Refined against Small-Angle X-Ray Scattering DataMiloš T Ivanović, Linda K Bruetzel, Jan Lipfert, et al.Scientific Reports|March 4, 2016
The Lipid Bilayer Provides a Site for Cortisone Crystallization at High Cortisone ConcentrationsRichard J Alsop, Adree Khondker, Jochen S Hub, et al.Journal of Chemical Theory and Computation|November 19, 2015
Quantifying Artifacts in Ewald Simulations of Inhomogeneous Systems with a Net ChargeJochen S Hub, Bert L de Groot, Helmut Grubmüller, et al.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 PTPN11 tandem SH2 domainsMichelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, et al.Pageof 10