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  1. No Access

    Article

    A kinetic ensemble of the Alzheimer’s Aβ peptide

    The conformational and thermodynamic properties of disordered proteins are commonly described in terms of structural ensembles and free energy landscapes. To provide information on the transition rates between...

    Thomas Löhr, Kai Kohlhoff, Gabriella T. Heller… in Nature Computational Science (2021)

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    Protocol

    A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference

    Accurate protein structural ensembles can be determined with metainference, a Bayesian inference method that integrates experimental information with prior knowledge of the system and deals with all sources of...

    Thomas Löhr, Carlo Camilloni, Massimiliano Bonomi… in Biomolecular Simulations (2019)