Physics of Proteins: Structure & Dynamics

FOCUS · MAR-J71 · ID: 3112491

Presentations

  • Effect of protein sequence, subunit composition and phosphorylation on neurofilament brush structure and morphology

    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 →

  • Concentrated antibody solutions: bridging structure and viscosity

    ORAL

    –

    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

    View abstract →

  • Exploring plant enzyme conformations and dynamics via MD simulations

    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 →

  • Exploring Dynamic Allostery in Thrombin

    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 →

  • Using the Cloud to study the impact of post-translational modifications of proteins and their complexes

    ORAL

    –

    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)

    View abstract →

  • Develop a Sensitive Method for Probing Mutation Induced Changes in Protein Structure & Stability

    ORAL

    –

    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 →