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MemPrep, a new technology for isolating organellar membranes provides fingerprints of lipid bilayer stress
Biological membranes have a stunning ability to adapt their composition in response to physiological stress and metabolic challenges. …
John Reinhard, Leonhard Starke, Christian Klose, Per Haberkant, Henrik Hammarén, Frank Stein, Ofir Klein, Charlotte Berhorst, Heike Stumpf, James P. Sáenz, Jochen S. Hub, Maya Schuldiner, Robert Ernst
PDF Cite DOI bioRxiv
MemPrep, a new technology for isolating organellar membranes provides fingerprints of lipid bilayer stress
Molecular simulations reveal the free energy landscape and transition state of membrane electroporation
The formation of pores over lipid membranes by the application of electric fields, termed membrane electroporation, is widely used in …
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Molecular simulations reveal the free energy landscape and transition state of membrane electroporation
Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet
SHP2 is a tyrosine phosphatase that plays a regulatory role in multiple intracellular signaling cascades and is known to be oncogenic …
Michelangelo Marasco, John Kirkpatrick, Teresa Carlomagno, Jochen S. Hub, Massimiliano Anselmi
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Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet
Atomistic ensemble of active SHP2
SHP2 phosphatase plays an important role in regulating several intracellular signaling pathways. Pathogenic mutations of SHP2 cause …
PDF Cite DOI Supplement 1 Supplement 2 bioRxiv
Atomistic ensemble of active SHP2
Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data
Biological macromolecules in solution are surrounded by a hydration shell, whose structure differs from the structure of bulk solvent. …
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Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data
Molecular Simulations of Liquid Jet Explosions and Shock Waves Induced by X-Ray Free-Electron Lasers
X-ray free-electron lasers (XFELs) produce x-ray pulses with high brilliance and short pulse duration. These properties enable …
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Molecular Simulations of Liquid Jet Explosions and Shock Waves Induced by X-Ray Free-Electron Lasers
Hydrophobin Bilayer as Water Impermeable Protein Membrane
One of the most important properties of membranes is their permeability to water and other small molecules. A targeted change in …
Friederike Nolle, Leonhard Starke, Alessandra Griffo, Michael Lienemann, Karin Jacobs, Ralf Seemann, Jean-Baptiste Fleury, Jochen S. Hub, Hendrik Hähl
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Hydrophobin Bilayer as Water Impermeable Protein Membrane
Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole Accuracy
The emergence of multidrug-resistant pathogens led to a critical need for new antibiotics. A key property of effective antibiotics …
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Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole Accuracy
Molecular simulations of DEAH-box helicases reveal control of domain flexibility by ligands: RNA, ATP, ADP, and G-patch proteins
DEAH-box helicases use the energy from ATP hydrolysis to translocate along RNA strands. They are composed of tandem RecA-like domains …
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Molecular simulations of DEAH-box helicases reveal control of domain flexibility by ligands: RNA, ATP, ADP, and G-patch proteins
Solvent-Dependent Structural Dynamics in the Ultrafast Photodissociation Reaction of Triiodide Observed with Time-Resolved X-ray Solution Scattering
Resolving the structural dynamics of bond breaking, bond formation, and solvation is required for a deeper understanding of …
Amke Nimmrich, Matthijs R. Panman, Oskar Berntsson, Elisa Biasin, Stephan Niebling, Jonas Petersson, Maria Hoernke, Alexander Björling, Emil Gustavsson, Tim B. van Driel, Asmus O. Dohn, Mads Laursen, Diana B. Zederkof, Kensuke Tono, Tetsuo Katayama, Shigeki Owada, Martin M. Nielsen, Jan Davidsson, Jens Uhlig, Jochen S. Hub, Kristoffer Haldrup, Sebastian Westenhoff
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Solvent-Dependent Structural Dynamics in the Ultrafast Photodissociation Reaction of Triiodide Observed with Time-Resolved X-ray Solution Scattering