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    Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange Data 

    Devaurs, Didier; Antunes, Dinler A.; Kavraki, Lydia E. (MDPI, 2018)
    Both experimental and computational methods are available to gather information about a protein's conformational space and interpret changes in protein structure. However, experimentally observing and computationally modeling large proteins remain critical challenges for structural biology. Our work aims at addressing these challenges by combining ...
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    Coarse-Grained Conformational Sampling of Protein Structure Improves the Fit to Experimental Hydrogen-Exchange Data 

    Devaurs, Didier; Antunes, Dinler A.; Papanastasiou, Malvina; Moll, Mark; Ricklin, Daniel; (Frontiers Media S.A., 2017)
    Monitoring hydrogen/deuterium exchange (HDX) undergone by a protein in solution produces experimental data that translates into valuable information about the protein's structure. Data produced by HDX experiments is often interpreted using a crystal structure of the protein, when available. However, it has been shown that the correspondence between ...

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    AuthorAntunes, Dinler A. (2)Devaurs, Didier (2)Kavraki, Lydia E. (2)Lambris, John D. (1)Moll, Mark (1)Papanastasiou, Malvina (1)Ricklin, Daniel (1)Subject
    mass spectrometry (2)
    protein conformational sampling (2)coarse-grained conformational sampling (1)experimental data fitting (1)hydrogen exchange (1)hydrogen/deuterium exchange (1)molecular dynamics (1)nuclear magnetic resonance (1)nuclear magnetic resonance spectroscopy (1)protein structure (1)... View MoreDate Issued2017 (1)2018 (1)Has File(s)Yes (2)

    Home | FAQ | Contact Us | Privacy Notice | Accessibility Statement
    Managed by the Digital Scholarship Services at Fondren Library, Rice University
    Physical Address: 6100 Main Street, Houston, Texas 77005
    Mailing Address: MS-44, P.O.BOX 1892, Houston, Texas 77251-1892
    Site Map