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

Lorenzo Casalino, Abigail C. Dommer, Zied Gaieb, Emília P. Barros, Terra Sztain, Surl-Hee Ahn, Anda Trifan, Alexander Brace, Anthony T. Bogetti, Austin Clyde, Heng Ma, Hyungro Lee, Matteo Turilli, Syma Khalid, Lillian T. Chong, Carlos Simmerling, David J. Hardy, Julio D. C. Maia, James C. Phillips, Thorsten Kurth, Abraham C. Stern, Lei Huang 0019, John D. McCalpin, Mahidhar Tatineni, Tom Gibbs, John E. Stone, Shantenu Jha, Arvind Ramanathan, Rommie E. Amaro. AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics. IJHPCA, 35(5), 2021. [doi]

@article{CasalinoDGBSATB21,
  title = {AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics},
  author = {Lorenzo Casalino and Abigail C. Dommer and Zied Gaieb and Emília P. Barros and Terra Sztain and Surl-Hee Ahn and Anda Trifan and Alexander Brace and Anthony T. Bogetti and Austin Clyde and Heng Ma and Hyungro Lee and Matteo Turilli and Syma Khalid and Lillian T. Chong and Carlos Simmerling and David J. Hardy and Julio D. C. Maia and James C. Phillips and Thorsten Kurth and Abraham C. Stern and Lei Huang 0019 and John D. McCalpin and Mahidhar Tatineni and Tom Gibbs and John E. Stone and Shantenu Jha and Arvind Ramanathan and Rommie E. Amaro},
  year = {2021},
  doi = {10.1177/10943420211006452},
  url = {https://doi.org/10.1177/10943420211006452},
  researchr = {https://researchr.org/publication/CasalinoDGBSATB21},
  cites = {0},
  citedby = {0},
  journal = {IJHPCA},
  volume = {35},
  number = {5},
}