Physics of Proteins: Structure & Dynamics

FOCUS · MAR-J71 · ID: 3112491

Presentations

  • ORAL

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    Publication: Ding, Yokokura, Wang, Kumar. Dissecting neurofilament tail sequence-phosphorylation-structure relationships with multicomponent reconstituted protein brushes. PNAS (Accepted)
    Yokokura, Duan, Ding, Kumar, Wang. Effects of ionic strength on the morphology, scattering, and mechanical response of neurofilament-derived protein brushes. Biomacromolecules 2024, 25, 1, 328–337. https://doi.org/10.1021/acs.biomac.3c01002.

    Presenters

    • Takashi J Yokokura

      • University of California, Berkeley

    Authors

    • Takashi J Yokokura

      • University of California, Berkeley

    • Erika A Ding

      • University of California, Berkeley

    • Chao Duan

      • University of California, Berkeley

    • Sanjay Kumar

      • University of California, Berkeley

    • Rui Wang

      • University of California, Berkeley

    View abstract →

  • ORAL

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    Presenters

    • Fabrizio Camerin

      • Lund University

    Authors

    • Fabrizio Camerin

      • Lund University

    • Marco Polimeni

      • University of Copenhagen

    • Anna Stradner

      • Lund University

    • Emanuela Zaccarelli

      • CNR Institute for Complex Systems
      • Institute for Complex Systems National Research Council (ISC-CNR), 00185 Rome, Italy.

    • Peter Schurtenberger

      • Lund University

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  • ORAL · Invited

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    Presenters

    • Yi Wang

      • Chinese University of Hong Kong

    Authors

    • Tianjie Li

      • The Chinese University of Hong Kong

    • Ying-Chih Chiang

      • Chinese University of Hong Kong (Shenzhen)

    • Yi Wang

      • Chinese University of Hong Kong

    • Chun Kei Lam

      • Chinese University of Hong Kong

    • Ziqi Wang

      • Chinese University of Hong Kong

    • Yitao Gou

      • Chinese University of Hong Kong

    View abstract →

  • ORAL

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    Publication: There likely will be work taken from a variety of publications including a planned one on allosteric drug design with thrombin. As well as the following background work.
    Wu, D., and Salsbury, F.R., Jr (2022). Simulations suggest double sodium binding induces unexpected conformational changes in thrombin. J. Mol. Model. 28, 120.

    Wu, D., and Salsbury, F.R., Jr (2024). Allosteric modulation of thrombin by thrombomodulin: Insights from logistic regression and statistical analysis of molecular dynamics simulations. ACS Omega 9, 23086–23100.

    Wu, D., and Salsbury, F.R., Jr (2023). Unraveling the impact of W215A/E217A mutations on thrombin's dynamics and thrombomodulin binding through molecular dynamics simulations. bioRxiv, 2023.12.20.572552. https://doi.org/10.1101/2023.12.20.572552.

    Xiao, J., and Salsbury, F.R. (2017). Molecular dynamics simulations of aptamer-binding reveal generalized allostery in thrombin. J. Biomol. Struct. Dyn. 35, 3354–3369.
    Wu, D., Xiao, J., and Salsbury, F.R., Jr (2021). Light Chain Mutation Effects on the Dynamics of Thrombin. J. Chem. Inf. Model. 61, 950–965.

    Xiao, J., Melvin, R.L., and Salsbury, F.R., Jr (2019). Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning. J. Biomol. Struct. Dyn. 37, 982–999.

    Xiao, J., Melvin, R.L., and Salsbury, F.R. (2017). Mechanistic insights into thrombin's switch between "slow" and "fast" forms. Phys. Chem. Chem. Phys. 19, 24522–24533.

    Xiao, J., and Salsbury, F.R. (2019). Na+-binding modes involved in thrombin's allosteric response as revealed by molecular dynamics simulations, correlation networks and Markov modeling. Phys. Chem. Chem. Phys. 21, 4320–4330.

    Presenters

    • Freddie R Salsbury

      • Wake Forest University

    Authors

    • Freddie R Salsbury

      • Wake Forest University

    • Dizhou Wu

      • Wake Forest University

    • Jiajie Xaio

      • Wake Forest University

    View abstract →

  • ORAL

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    Presenters

    • Daniel Mejia-Rodriguez

      • Pacific Northwest National Laboratory (PNNL)

    Authors

    • Daniel Mejia-Rodriguez

      • Pacific Northwest National Laboratory (PNNL)

    • Margaret S Cheung

      • Pacific Northwest National Laboratory (PNNL)

    • Hoshin Kim

      • Pacific Northwest National Laboratory (PNNL)

    • Margot Lockwood

      • Pacific Northwest National Laboratory (PNNL)

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  • ORAL

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    Presenters

    • Aihua Xie

      • Oklahoma State University-Stillwater

    Authors

    • Aihua Xie

      • Oklahoma State University-Stillwater

    • Rosalie Dohmen

      • Oklahoma State University

    • Lorand Kelemen

      • Oklahoma State University

    • Mehran Yasir

      • Oklahoma State University

    • Sarah Teeman

      • Oklahoma State University

    • Wouter D Hoff

      • Oklahoma State University
      • Oklahoma State University-Stillwater

    • Brenden Heise

      • Oklahoma State University

    View abstract →