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Structural Determinants of Phosphopeptide Binding to the N-Terminal Src Homology 2 Domain of the SHP2 Phosphatase
SH2 domain-containing tyrosine phosphatase 2 (SHP2), encoded by PTPN11, plays a fundamental role in the modulation of several signaling …
Massimiliano Anselmi
,
Paolo Calligari
,
Jochen S. Hub
,
Marco Tartaglia
,
Gianfranco Bocchinfuso
,
Lorenzo Stella
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DOI
Supporting Info
Small-Angle X-ray Scattering Curves of Detergent Micelles: Effects of Asymmetry, Shape Fluctuations, Disorder, and Atomic Details
Small-angle X-ray scattering (SAXS) is a widely used experimental technique, providing structural and dynamic insight into soft-matter …
Miloš Ivanović
,
Markus Hermann
,
Maciej Wójcik
,
Javier Pérez
,
Jochen S. Hub
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DOI
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Supporting movie
bioRxiv
SAXS-Restrained Ensemble Simulations of Intrinsically Disordered Proteins with Commitment to the Principle of Maximum Entropy
Intrinsically disordered proteins (IDPs) play key roles in biology and disease, rationalizing the wide interest in deriving accurate …
Markus Hermann
,
Jochen S. Hub
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DOI
Supporting Info
Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics Simulations
Small-angle X-ray and small-angle neutron scattering (SAXS/SANS) provide unique structural information on biomolecules and their …
Po-chia Chen
,
Roman Shevchuk
,
Felix M. Strnad
,
Charlotte Lorenz
,
Lukas Karge
,
Ralph Gilles
,
Andreas M. Stadler
,
Janosch Hennig
,
Jochen S. Hub
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DOI
Supporting Info
Steroid–steroid interactions in biological membranes: Cholesterol and cortisone
Steroid flares are common side effects associated with corticosteroid treatment, and have been recently theorized to be a consequence …
Adree Khondker
,
Jochen S. Hub
,
Maikel C. Rheinstädter
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DOI
Molecular Mechanism of Polycation-Induced Pore Formation in Biomembranes
Polycations are an attractive class of macromolecules with promising applications as drug/gene carriers and biocides. The chemical …
Neha Awasthi
,
Wojciech Kopec
,
Natalia Wilkosz
,
Dorota Jamróz
,
Jochen S. Hub
,
Maria Zatorska
,
Rafał Petka
,
Maria Nowakowska
,
Mariusz Kepczynski
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DOI
Quantifying the influence of the ion cloud on SAXS profiles of charged proteins
Small-angle X-ray scattering (SAXS) is a popular experimental technique used to obtain structural information on biomolecules in …
Miloš Ivanović
,
Linda K. Bruetzel
,
Roman Shevchuk
,
Jan Lipfert
,
Jochen S. Hub
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DOI
Supporting Info
Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and Kinetics
Steroids have numerous physiological functions associated with cellular signaling or modulation of the lipid membrane structure and …
Kalina Atkovska
,
Johannes Klingler
,
Johannes Oberwinkler
,
Sandro Keller
,
Jochen S. Hub
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DOI
Supporting Info
Merging In-Solution X-ray and Neutron Scattering Data Allows Fine Structural Analysis of Membrane–Protein Detergent Complexes
In-solution small-angle X-ray and neutron scattering (SAXS/SANS) have become popular methods to characterize the structure of membrane …
Gaëtan Dias Mirandela
,
Giulia Tamburrino
,
Miloš Ivanović
,
Felix M. Strnad
,
Olwyn Byron
,
Tim Rasmussen
,
Paul A. Hoskisson
,
Jochen S. Hub
,
Ulrich Zachariae
,
Frank Gabel
,
Arnaud Javelle
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DOI
Supporting Info
bioRxiv
Assigning crystallographic electron densities with free energy calculations—The case of the fluoride channel Fluc
Approximately 90% of the structures in the Protein Data Bank (PDB) were obtained by X-ray crystallography or electron microscopy. …
Igor Ariz-Extreme
,
Jochen S. Hub
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DOI
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