Biophysics

  1. High Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Non-Covalent Inhibitor

    1. Austin Clyde
    2. Stephanie Galanie
    3. Daniel W. Kneller
    4. Heng Ma
    5. Yadu Babuji
    6. Ben Blaiszik
    7. Alexander Brace
    8. Thomas Brettin
    9. Kyle Chard
    10. Ryan Chard
    11. Leighton Coates
    12. Ian Foster
    13. Darin Hauner
    14. Vilmos Kertesz
    15. Neeraj Kumar
    16. Hyungro Lee
    17. Zhuozhao Li
    18. Andre Merzky
    19. Jurgen G. Schmidt
    20. Li Tan
    21. Mikhail Titov
    22. Anda Trifan
    23. Matteo Turilli
    24. Hubertus Van Dam
    25. Srinivas C. Chennubhotla
    26. Shantenu Jha
    27. Andrey Kovalevsky
    28. Arvind Ramanathan
    29. Martha S. Head
    30. Rick Stevens

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  2. Structural Analysis of Spike Protein Mutations in the SARS-CoV-2 P.3 Variant

    1. Neil Andrew D. Bascos
    2. Denise Mirano-Bascos
    3. Cynthia P. Saloma

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  3. Evolutionary differences in the ACE2 reveals the molecular origins of COVID-19 susceptibility

    1. Ryan R. Cheng
    2. Esteban Dodero-Rojas
    3. Michele Di Pierro
    4. José N. Onuchic

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  4. Computational Analysis of Mutations in the Receptor-Binding Domain of SARS-CoV-2 Spike and Their Effects on Antibody Binding

    1. Marine E. Bozdaganyan
    2. Konstantin V. Shaitan
    3. Mikhail P. Kirpichnikov
    4. Olga S. Sokolova
    5. Philipp S. Orekhov

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  5. SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

    1. Maxwell I. Zimmerman
    2. Justin R. Porter
    3. Michael D. Ward
    4. Sukrit Singh
    5. Neha Vithani
    6. Artur Meller
    7. Upasana L. Mallimadugula
    8. Catherine E. Kuhn
    9. Jonathan H. Borowsky
    10. Rafal P. Wiewiora
    11. Matthew F. D. Hurley
    12. Aoife M Harbison
    13. Carl A Fogarty
    14. Joseph E. Coffland
    15. Elisa Fadda
    16. Vincent A. Voelz
    17. John D. Chodera
    18. Gregory R. Bowman

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  6. Bronchoalveolar lavage affects thorax computed tomography of healthy and SARS-CoV-2 infected rhesus macaques (Macaca mulatta)

    1. Annemiek Maaskant
    2. Lisette Meijer
    3. Zahra Fagrouch
    4. Jaco Bakker
    5. Leo van Geest
    6. Dian G. M. Zijlmans
    7. Babs E. Verstrepen
    8. Jan A. M. Langermans
    9. Ernst J. Verschoor
    10. Marieke A. Stammes

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  7. Structure of replicating SARS-CoV-2 polymerase

    1. Hauke S. Hillen
    2. Goran Kokic
    3. Lucas Farnung
    4. Christian Dienemann
    5. Dimitry Tegunov
    6. Patrick Cramer

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  8. Mutations in the B.1.1.7 SARS-CoV-2 Spike Protein Reduce Receptor-Binding Affinity and Induce a Flexible Link to the Fusion Peptide

    1. Eileen Socher
    2. Marcus Conrad
    3. Lukas Heger
    4. Friedrich Paulsen
    5. Heinrich Sticht
    6. Friederike Zunke
    7. Philipp Arnold

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  9. Force-dependent stimulation of RNA unwinding by SARS-CoV-2 nsp13 helicase

    1. Keith J. Mickolajczyk
    2. Patrick M.M. Shelton
    3. Michael Grasso
    4. Xiaocong Cao
    5. Sara E. Warrington
    6. Amol Aher
    7. Shixin Liu
    8. Tarun M. Kapoor

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  10. Structure and dynamics of the SARS‐CoV ‐2 envelope protein monomer

    1. Alexander Kuzmin
    2. Philipp Orekhov
    3. Roman Astashkin
    4. Valentin Gordeliy
    5. Ivan Gushchin

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