APS Logo

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

    –

    Publication: Ding, Yokokura, Wang, Kumar. Dissecting neurofilament tail sequence-phosphorylation-structure relationships with multicomponent reconstituted protein brushes. PNAS (Accepted)<br>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

    –

    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

    –

    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.<br>Wu, D., and Salsbury, F.R., Jr (2022). Simulations suggest double sodium binding induces unexpected conformational changes in thrombin. J. Mol. Model. 28, 120.<br><br>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.<br><br>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.<br><br>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.<br>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.<br><br>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.<br><br>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.<br><br>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 &amp; 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 →