| Dokumenttyp | Erscheinungsjahr | Titel | Autoren | Herausgeber |
|---|
| article | 2024 | Phosphopeptide binding to the N-SH2 domain of tyrosine phosphatase SHP2 correlates with the unzipping of its central β-sheet | Marasco, Michelangelo; Kirkpatrick, John; Carlomagno, Teresa; Hub, Jochen S.; Anselmi, Massimiliano | |
| article | 2024 | MemPrep, a new technology for isolating organellar membranes provides fingerprints of lipid bilayer stress | Reinhard, John; Starke, Leonhard; Klose, Christian; Haberkant, Per; Hammarén, Henrik; Stein, Frank; Klein, Ofir; Berhorst, Charlotte; Stumpf, Heike; Sáenz, James P.; Hub, Jochen; Schuldiner, Maya; Ernst, Robert | |
| article | 2024 | Hairpin protein partitioning from the ER to lipid droplets involves major structural rearrangements | Dhiman, Ravi; Perera, Rehani S.; Poojari, Chetan S.; Wiedemann, Haakon T. A.; Kappl, Reinhard; Kay, Christopher W. M.; Hub, Jochen S.; Schrul, Bianca | |
| article | 2023 | Equivalence of Charge Imbalance and External Electric Fields during Free Energy Calculations of Membrane Electroporation | Kasparyan, Gari; Hub, Jochen S. | |
| article | 2023 | Simulated Tempering-Enhanced Umbrella Sampling Improves Convergence of Free Energy Calculations of Drug Membrane Permeation | Sousa, Carla F.; Becker, Robert A.; Lehr, Claus-Michael; Kalinina, Olga V.; Hub, Jochen S. | |
| article | 2023 | Molecular simulations of DEAH-box helicases reveal control of domain flexibility by ligands: RNA, ATP, ADP, and G-patch proteins | Becker, Robert A.; Hub, Jochen Sebastian | |
| article | 2023 | Continuous millisecond conformational cycle of a DEAH box helicase reveals control of domain motions by atomic-scale transitions | Becker, Robert A.; Hub, Jochen S. | |
| article | 2023 | Molecular Simulations of Liquid Jet Explosions and Shock Waves Induced by X-Ray Free-Electron Lasers | Chatzimagas, Leonie; Hub, Jochen S. | |
| article | 2023 | Scrutinizing the protein hydration shell from molecular dynamics simulations against consensus small-angle scattering data | Linse, Johanna-Barbara; Hub, Jochen S. | |
| article | 2023 | Atomistic ensemble of active SHP2 phosphatase | Anselmi, Massimiliano; Hub, Jochen S. | |
| article | 2023 | Hydrophobin Bilayer as Water Impermeable Protein Membrane | Nolle, Friederike; Starke, Leonhard J.; Griffo, Alessandra; Lienemann, Michael; Jacobs, Karin; Seemann, Ralf; Fleury, Jean-Baptiste; Hub, Jochen S.; Hähl, Hendrik | |
| article | 2023 | Experiment-guided molecular simulations define a heterogeneous structural ensemble for the PTPN11 tandem SH2 domains | Marasco, Michelangelo; Kirkpatrick, John; Carlomagno, Teresa; Hub, Jochen Sebastian; Anselmi, Massimiliano | |
| article | 2023 | Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole Accuracy | Lapierre, Jeremy; Hub, Jochen S. | |
| article | 2021 | Joint Reaction Coordinate for Computing the Free-Energy Landscape of Pore Nucleation and Pore Expansion in Lipid Membranes | Hub, Jochen S. | |
| article | 2021 | Free energies of membrane stalk formation from a lipidomics perspective | Poojari, Chetan S.; Scherer, Katharina C.; Hub, Jochen S. | |
| article | 2020 | An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphatase | Anselmi, Massimiliano; Hub, Jochen S. | |
| article | 2020 | Cooperative Effects of an Antifungal Moiety and DMSO on Pore Formation over Lipid Membranes Revealed by Free Energy Calculations | Kasparyan, Gari; Poojari, Chetan; Róg, Tomasz; Hub, Jochen S. | |
| article | 2020 | Small-Angle X-ray Scattering Curves of Detergent Micelles: Effects of Asymmetry, Shape Fluctuations, Disorder, and Atomic Details | Ivanović, Miloš T.; Hermann, Markus R.; Wójcik, Maciej; Pérez, Javier; Hub, Jochen S. | |
| article | 2019 | SAXS-Restrained Ensemble Simulations of Intrinsically Disordered Proteins with Commitment to the Principle of Maximum Entropy | Hermann, Markus R.; Hub, Jochen Sebastian | |
| article | 2019 | Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics Simulations | Chen, Po-Chia; Shevchuk, Roman; Strnad, Felix M.; Lorenz, Charlotte; Karge, Lukas; Gilles, Ralph; Stadler, Andreas M.; Hennig, Janosch; Hub, Jochen Sebastian | |
| article | 2019 | Molecular Mechanism of Polycation-Induced Pore Formation in Biomembranes | Awasthi, Neha; Kopec, Wojciech; Wilkosz, Natalia; Jamróz, Dorota; Hub, Jochen Sebastian; Zatorska, Maria; Petka, Rafał; Nowakowska, Maria; Kepczynski, Mariusz | |
| bookPart | 2019 | Free-Energy Calculations of Pore Formation in Lipid Membranes | Awasthi, N.; Hub, Jochen Sebastian | |
| article | 2018 | Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and Kinetics | Atkovska, Kalina; Klingler, Johannes; Oberwinkler, Johannes; Keller, Sandro; Hub, Jochen Sebastian | |
| article | 2018 | Merging In-Solution X-ray and Neutron Scattering Data Allows Fine Structural Analysis of Membrane-Protein Detergent Complexes | Dias Mirandela, Gaëtan; Tamburrino, Giulia; Ivanović, Miloš T; Strnad, Felix M; Byron, Olwyn; Rasmussen, Tim; Hoskisson, Paul A; Hub, Jochen Sebastian; Zachariae, Ulrich; Gabel, Frank; Javelle, Arnaud | |
| article | 2018 | Assigning crystallographic electron densities with free energy calculations-The case of the fluoride channel Fluc | Ariz-Extreme, Igor; Hub, Jochen Sebastian | |
| article | 2018 | Temperature-Dependent Atomic Models of Detergent Micelles Refined against Small-Angle X-Ray Scattering Data | Ivanović, Miloš T; Bruetzel, Linda K; Lipfert, Jan; Hub, Jochen Sebastian | |
| article | 2018 | Quantifying the influence of the ion cloud on SAXS profiles of charged proteins | Ivanović, Miloš T.; Bruetzel, Linda K.; Shevchuk, Roman; Lipfert, Jan; Hub, Jochen Sebastian | |
| article | 2018 | Interpreting solution X-ray scattering data using molecular simulations | Hub, Jochen Sebastian | |
| article | 2018 | Metastable Prepores in Tension-Free Lipid Bilayers | Ting, Christina L.; Awasthi, Neha; Müller, Marcus; Hub, Jochen Sebastian | |
| article | 2017 | Energetics and mechanism of anion permeation across formate-nitrite transporters | Atkovska, Kalina; Hub, Jochen Sebastian | |
| article | 2017 | A glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target membrane insertion | Guardado-Calvo, P; Atkovska, K; Jeffers, S A; Grau, N; Backovic, M; Pérez-Vargas, J; de Boer, S M; Tortorici, M A; Pehau-Arnaudet, G; Lepault, J; England, P; Rottier, P J; Bosch, B J; Hub, Jochen Sebastian; Rey, F A | |
| article | 2017 | Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid Membranes | Hub, Jochen Sebastian; Awasthi, Neha | |
| article | 2017 | Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamics | Shevchuk, Roman; Hub, Jochen Sebastian | |
| article | 2017 | Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM | Ariz-Extreme, Igor; Hub, Jochen Sebastian | |
https://orcid.org/0000-0001-7716-1767