Resultats de la cerca - Teresa Head‐Gordon

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  1. 1
    Optimizing Protein−Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model Peptides

    Optimizing Protein−Solvent Force Fields to Reproduce Intrinsic Conformational Preferences of Model Peptides per Paul S. Nerenberg, Teresa Head‐Gordon

    Publicat 2011
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  2. 2
    New developments in force fields for biomolecular simulations

    New developments in force fields for biomolecular simulations per Paul S. Nerenberg, Teresa Head‐Gordon

    Publicat 2018
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  3. 3
    Experimental Inferential Structure Determination of Ensembles for Intrinsically Disordered Proteins

    Experimental Inferential Structure Determination of Ensembles for Intrinsically Disordered Proteins per David H. Brookes, Teresa Head‐Gordon

    Publicat 2016
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  4. 4
    Computational Design of Synthetic Enzymes

    Computational Design of Synthetic Enzymes per Valerie Vaissier Welborn, Teresa Head‐Gordon

    Publicat 2018
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  5. 5
    Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid Isomerase

    Fluctuations of Electric Fields in the Active Site of the Enzyme Ketosteroid Isomerase per Valerie Vaissier Welborn, Teresa Head‐Gordon

    Publicat 2019
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  6. 6
    The Importance of the Scaffold for <i>de Novo</i> Enzymes: A Case Study with Kemp Eliminase

    The Importance of the Scaffold for <i>de Novo</i> Enzymes: A Case Study with Kemp Eliminase per Asmit Bhowmick, Sudhir C. Sharma, Teresa Head‐Gordon

    Publicat 2017
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  7. 7
    Comparison of Structure Determination Methods for Intrinsically Disordered Amyloid-β Peptides

    Comparison of Structure Determination Methods for Intrinsically Disordered Amyloid-β Peptides per K. Aurelia Ball, David E. Wemmer, Teresa Head‐Gordon

    Publicat 2014
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  8. 8
    Coarse-grained sequences for protein folding and design

    Coarse-grained sequences for protein folding and design per Scott P. Brown, Nicolas L. Fawzi, Teresa Head‐Gordon

    Publicat 2003
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  9. 9
    Determining the Critical Nucleus and Mechanism of Fibril Elongation of the Alzheimer’s Aβ1–40 Peptide

    Determining the Critical Nucleus and Mechanism of Fibril Elongation of the Alzheimer’s Aβ1–40 Peptide per Nicolas L. Fawzi, Yuka Okabe, Eng-Hui Yap, Teresa Head‐Gordon

    Publicat 2006
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  10. 10
    Optimizing Solute–Water van der Waals Interactions To Reproduce Solvation Free Energies

    Optimizing Solute–Water van der Waals Interactions To Reproduce Solvation Free Energies per Paul S. Nerenberg, Brian Jo, Clare So, Ajay Tripathy, Teresa Head‐Gordon

    Publicat 2012
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  11. 11
    Differences in β-strand Populations of Monomeric Aβ40 and Aβ42

    Differences in β-strand Populations of Monomeric Aβ40 and Aβ42 per K. Aurelia Ball, Aaron H. Phillips, David E. Wemmer, Teresa Head‐Gordon

    Publicat 2013
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  12. 12
    The Influence of Protein Dynamics on the Success of Computational Enzyme Design

    The Influence of Protein Dynamics on the Success of Computational Enzyme Design per Jory Z. Ruscio, Jonathan E. Kohn, K. Aurelia Ball, Teresa Head‐Gordon

    Publicat 2009
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  13. 13
    Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data

    Accurate prediction of chemical shifts for aqueous protein structure on “Real World” data per Jie Li, Kochise Bennett, Yuchen Liu, Michael V. Martin, Teresa Head‐Gordon

    Publicat 2020
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  14. 14
    Deep Learning of Proteins with Local and Global Regions of Disorder.

    Deep Learning of Proteins with Local and Global Regions of Disorder. per Oufan Zhang, Zi Hao Liu, Julie D. Forman‐Kay, Teresa Head‐Gordon

    Publicat 2025
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  15. 15
    Computational Optimization of Electric Fields for Improving Catalysis of a Designed Kemp Eliminase

    Computational Optimization of Electric Fields for Improving Catalysis of a Designed Kemp Eliminase per Valerie Vaissier Welborn, Sudhir C. Sharma, K. B. Schaettle, Taoran Zhang, Teresa Head‐Gordon

    Publicat 2017
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  16. 16
    Structure and Dynamics of the Aβ<sub>21–30</sub> Peptide from the Interplay of NMR Experiments and Molecular Simulations

    Structure and Dynamics of the Aβ<sub>21–30</sub> Peptide from the Interplay of NMR Experiments and Molecular Simulations per Nicolas L. Fawzi, Aaron H. Phillips, Jory Z. Ruscio, Michaeleen Doucleff, David E. Wemmer, Teresa Head‐Gordon

    Publicat 2008
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  17. 17
    Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides

    Homogeneous and Heterogeneous Tertiary Structure Ensembles of Amyloid-β Peptides per K. Aurelia Ball, Aaron H. Phillips, Paul S. Nerenberg, Nicolas L. Fawzi, David E. Wemmer, Teresa Head‐Gordon

    Publicat 2011
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  18. 18
    Efficient derivation of cortical glutamatergic neurons from human pluripotent stem cells: A model system to study neurotoxicity in Alzheimer's disease

    Efficient derivation of cortical glutamatergic neurons from human pluripotent stem cells: A model system to study neurotoxicity in Alzheimer's disease per Tandis Vazin, K. Aurelia Ball, Hui Lü, Hyungju Park, Yasaman Ataeijannati, Teresa Head‐Gordon, Mu‐ming Poo, David V. Schaffer

    Publicat 2013
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  19. 19
    Conformational Ensembles of an Intrinsically Disordered Protein Consistent with NMR, SAXS, and Single-Molecule FRET

    Conformational Ensembles of an Intrinsically Disordered Protein Consistent with NMR, SAXS, and Single-Molecule FRET per Gregory-Neal W. Gomes, Mickaël Krzeminski, Ashley Namini, Erik Martin, Tanja Mittag, Teresa Head‐Gordon, Julie D. Forman‐Kay, Claudiu C. Gradinaru

    Publicat 2020
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  20. 20
    Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data

    Learning to evolve structural ensembles of unfolded and disordered proteins using experimental solution data per Oufan Zhang, Mojtaba Haghighatlari, Jie Li, Zi Hao Liu, Ashley Namini, João M. C. Teixeira, Julie D. Forman‐Kay, Teresa Head‐Gordon

    Publicat 2023
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