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Scientific Reports|October 29, 2020
An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphataseMassimiliano Anselmi, Jochen S HubCommunications Biology|December 22, 2023
Atomistic ensemble of active SHP2 phosphataseMassimiliano Anselmi, Jochen S HubMethods in Molecular Biology (Clifton, N.J.)|September 5, 2023
Revealing Allostery in PTPN11 SH2 Domains from MD SimulationsMassimiliano Anselmi, Jochen S HubProceedings of the National Academy of Sciences of the United States of America|April 23, 2021
The loops of the N-SH2 binding cleft do not serve as allosteric switch in SHP2 activationMassimiliano Anselmi, Jochen S HubComputational 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.Journal of Chemical Information and Modeling|May 13, 2020
Structural Determinants of Phosphopeptide Binding to the N-Terminal Src Homology 2 Domain of the SHP2 PhosphataseMassimiliano Anselmi, Paolo Calligari, Jochen S Hub, et al.Current Opinion in Structural Biology|November 25, 2017
Interpreting solution X-ray scattering data using molecular simulationsJochen S HubJournal of Chemical Theory and Computation|January 11, 2021
Joint Reaction Coordinate for Computing the Free-Energy Landscape of Pore Nucleation and Pore Expansion in Lipid MembranesJochen S HubJournal of Chemical Theory and Computation|June 3, 2016
Simulations of Pore Formation in Lipid Membranes: Reaction Coordinates, Convergence, Hysteresis, and Finite-Size EffectsNeha Awasthi, Jochen S HubPageof 13