1. Dynamics and electrostatics define an allosteric druggable site within the receptor‐binding domain of SARS‐CoV‐2 spike protein

    This article has 3 authors:
    1. Sayan Bhattacharjee
    2. Rajanya Bhattacharyya
    3. Jayati Sengupta

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  2. Understanding the phase separation characteristics of nucleocapsid protein provides a new therapeutic opportunity against SARS-CoV-2

    This article has 17 authors:
    1. Dan Zhao
    2. Weifan Xu
    3. Xiaofan Zhang
    4. Xiaoting Wang
    5. Enming Yuan
    6. Yuanpeng Xiong
    7. Shenyang Wu
    8. Shuya Li
    9. Nian Wu
    10. Tingzhong Tian
    11. Xiaolong Feng
    12. Hantao Shu
    13. Peng Lang
    14. Xiaokun Shen
    15. Haitao Li
    16. Pilong Li
    17. Jianyang Zeng

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  3. Millisecond-scale molecular dynamics simulation of spike RBD structure reveals evolutionary adaption of SARS-CoV-2 to stably bind ACE2

    This article has 7 authors:
    1. Gard Nelson
    2. Oleksandr Buzko
    3. Aaron Bassett
    4. Patricia Spilman
    5. Kayvan Niazi
    6. Shahrooz Rabizadeh
    7. Patrick Soon-Shiong

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  4. Inhibitor Binding Modulates Protonation States in the Active Site of SARS-CoV-2 Main Protease

    This article has 6 authors:
    1. Daniel W. Kneller
    2. Gwyndalyn Phillips
    3. Kevin L. Weiss
    4. Qiu Zhang
    5. Leighton Coates
    6. Andrey Kovalevsky

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  5. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

    This article has 29 authors:
    1. Lorenzo Casalino
    2. Abigail C Dommer
    3. Zied Gaieb
    4. Emilia P Barros
    5. Terra Sztain
    6. Surl-Hee Ahn
    7. Anda Trifan
    8. Alexander Brace
    9. Anthony T Bogetti
    10. Austin Clyde
    11. Heng Ma
    12. Hyungro Lee
    13. Matteo Turilli
    14. Syma Khalid
    15. Lillian T Chong
    16. Carlos Simmerling
    17. David J Hardy
    18. Julio DC Maia
    19. James C Phillips
    20. Thorsten Kurth
    21. Abraham C Stern
    22. Lei Huang
    23. John D McCalpin
    24. Mahidhar Tatineni
    25. Tom Gibbs
    26. John E Stone
    27. Shantenu Jha
    28. Arvind Ramanathan
    29. Rommie E Amaro

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  6. Double Lock of a Potent Human Monoclonal Antibody against SARS-CoV-2

    This article has 32 authors:
    1. Ling Zhu
    2. Yong-Qiang Deng
    3. Rong-Rong Zhang
    4. Zhen Cui
    5. Chun-Yun Sun
    6. Chang-Fa Fan
    7. Xiaorui Xing
    8. Weijin Huang
    9. Qi Chen
    10. Na-Na Zhang
    11. Qing Ye
    12. Tian-Shu Cao
    13. Nan Wang
    14. Lei Wang
    15. Lei Cao
    16. Huiyu Wang
    17. Desheng Kong
    18. Juan Ma
    19. Chunxia Luo
    20. Yanjing Zhang
    21. Jianhui Nie
    22. Yao Sun
    23. Zhe Lv
    24. Neil Shaw
    25. Qianqian Li
    26. Xiao-Feng Li
    27. Junjie Hu
    28. Liangzhi Xie
    29. Zihe Rao
    30. Youchun Wang
    31. Xiangxi Wang
    32. Cheng-Feng Qin

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  7. Cryo-EM Structures of the N501Y SARS-CoV-2 Spike Protein in Complex with ACE2 and Two Potent Neutralizing Antibodies

    This article has 13 authors:
    1. Xing Zhu
    2. Dhiraj Mannar
    3. Shanti S. Srivastava
    4. Alison M. Berezuk
    5. Jean-Philippe Demers
    6. James W Saville
    7. Karoline Leopold
    8. Wei Li
    9. Dimiter S. Dimitrov
    10. Katharine S. Tuttle
    11. Steven Zhou
    12. Sagar Chittori
    13. Sriram Subramaniam

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  8. Functional binding dynamics relevant to the evolution of zoonotic spillovers in endemic and emergent Betacoronavirus strains

    This article has 5 authors:
    1. Patrick Rynkiewicz
    2. Gregory A. Babbitt
    3. Feng Cui
    4. André O. Hudson
    5. Miranda L. Lynch

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  9. D614G mutation alters SARS-CoV-2 spike conformational dynamics and protease cleavage susceptibility at the S1/S2 junction

    This article has 12 authors:
    1. Sophie M-C. Gobeil
    2. Katarzyna Janowska
    3. Shana McDowell
    4. Katayoun Mansouri
    5. Robert Parks
    6. Kartik Manne
    7. Victoria Stalls
    8. Megan Kopp
    9. Rory Henderson
    10. Robert J Edwards
    11. Barton F. Haynes
    12. Priyamvada Acharya

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  10. Structural stability of SARS-CoV-2 degrades with temperature

    This article has 8 authors:
    1. A. Sharma
    2. B. Preece
    3. H Swann
    4. X. Fan
    5. R.J. McKenney
    6. K.M. Ori-McKenney
    7. S. Saffarian
    8. M.D. Vershinin

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