Physics of Proteins III: Evolution and Function of Molecular Interactions

Presentations

• Exploring protein biophysics with deep learning

  ORAL · Invited

  March 9, 2023, 2:30 PM – March 9, 2023, 3:06 PM

  Publication: A. V. Kulikova, D. J. Diaz, J. M. Loy, A. D. Ellington, C. O. Wilke (2021). Learning the local landscape of protein structures with convolutional neural networks. J. Biol. Phys. 47:435-454.

  Presenters

  • Claus Wilke

    University of Texas at Austin

  Authors

  • Claus Wilke

    University of Texas at Austin

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• GENERALIST: Generative Probabilistic Non-Linear Tensor Factorization Model for Proteins

  ORAL

  March 9, 2023, 3:06 PM – March 9, 2023, 3:18 PM

  Presenters

  • Hoda Akl

    University of Florida

  Authors

  • Hoda Akl

    University of Florida

  • Brooke Emison

    University of Florida

  • Xiaochuan Zhao

    University of Florida

  • Purushottam Dixit

    University of Florida

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• Analyses of the cores of AlphaFold2 protein structure predictions

  ORAL

  March 9, 2023, 3:18 PM – March 9, 2023, 3:30 PM

  Presenters

  • Jillian Belluck

    Brown University, Yale Univeristy

  Authors

  • Jillian Belluck

    Brown University, Yale Univeristy

  • Alex T Grigas

    Yale University

  • Corey S O'Hern

    Yale University

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• Evaluating Machine Learning Techniques for Decoy Detection of Protein-Protein Interactions

  ORAL

  March 9, 2023, 3:30 PM – March 9, 2023, 3:42 PM

  Presenters

  • Naomi Brandt

    Yale University

  Authors

  • Naomi Brandt

    Yale University

  • Alex T Grigas

    Yale University

  • Lynne Regan

    The University of Edinburgh

  • Corey S O'Hern

    Yale University

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• Local deformations of proteins through molecular simulations reveal allosteric couplings with implications for drug design

  ORAL

  March 9, 2023, 3:42 PM – March 9, 2023, 3:54 PM

  Publication: 1. Menéndez, C. A., Byléhn, F., Perez-Lemus, G. R., Alvarado, W., & de Pablo, J. J. (2020). Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease. Science Advances, 6(37), eabd0345.<br>2. Perez-Lemus, G. R., Menéndez, C. A., Alvarado, W., Byléhn, F., & de Pablo, J. J. (2022). Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors. Science advances, 8(1), eabj4526.<br>3. Alvarado, W., Perez-Lemus, G. R., Menéndez, C. A., Byléhn, F., & de Pablo, J. J. (2022). Molecular characterization of COVID-19 therapeutics: luteolin as an allosteric modulator of the spike protein of SARS-CoV-2. Molecular Systems Design & Engineering, 7(1), 58-66.

  Presenters

  • Fabian Byléhn

    University of Chicago

  Authors

  • Fabian Byléhn

    University of Chicago

  • Juan J De Pablo

    University of Chicago

  • Gustavo R Perez Lemus

    University of Chicago

  • Cintia A Menendez

    University of Chicago

  • Walter Alvarado

    University of Chicago

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• Characterising the intrinsically disordered region of ORF6 from SARS-CoV-2

  ORAL

  March 9, 2023, 3:54 PM – March 9, 2023, 4:06 PM

  Presenters

  • Alice J Pettitt

    University College London

  Authors

  • Alice J Pettitt

    University College London

  • Lydia Newton

    University College London

  • Stephen McCarthy

    University College London

  • Alethea B Tabor

    University College London

  • Gabriella T Heller

    University College London

  • Christian D Lorenz

    King's College London

  • D. Flemming Hansen

    University College London

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• Evolution of the Structure and Function of the Cyanobacterial Orange Carotenoid Protein and its Quenching of the Cyanobacterial Light Harvesting Antenna

  ORAL · Invited

  March 9, 2023, 4:06 PM – March 9, 2023, 4:42 PM

  Presenters

  • Cheryl Kerfeld

    Michigan State Univ

  Authors

  • Cheryl Kerfeld

    Michigan State Univ

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• The Molecular Origin of Various DNA-repair Quantum Yields in Photolyases

  ORAL

  March 9, 2023, 4:42 PM – March 9, 2023, 4:54 PM

  Publication: Planned paper: The Molecular Origin of Various DNA-repair Quantum Yields in Photolyases

  Presenters

  • Chao Yang

    The Ohio State University

  Authors

  • Chao Yang

    The Ohio State University

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• Many-body van der Waals forces, polarization response and dynamical effects in poly-peptides

  ORAL

  March 9, 2023, 4:54 PM – March 9, 2023, 5:06 PM

  Presenters

  • Mario Galante

    University of Luxembourg

  Authors

  • Mario Galante

    University of Luxembourg

  • Alexandre Tkatchenko

    University of Luxembourg, University of Luxembourg Limpertsberg

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• Examining dynamic allostery and communication in proteins via machine learning and statistical analysis

  ORAL

  March 9, 2023, 5:06 PM – March 9, 2023, 5:18 PM

  Presenters

  • Freddie R Salsbury

    Wake Forest University

  Authors

  • Freddie R Salsbury

    Wake Forest University

  • Dizhou Wu

    Wake Forest University

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• Investigating decoy detection for protein-protein interaction models using state-of-the-art scoring methods and a novel graph neural network

  ORAL

  March 9, 2023, 5:18 PM – March 9, 2023, 5:30 PM

  Presenters

  • Jake Sumner

    Yale University

  Authors

  • Jake Sumner

    Yale University

  • Grace Meng

    Yale University

  • Alex T Grigas

    Yale University

  • Corey S O'Hern

    Yale University

  View abstract →