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original article |
Date |
Title |
Authors All Authors |
| 1 |
[GO] |
2023―Oct―27 |
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics |
Maxim Zvyagin, Alexander Brace, Kyle Hippe, Yuntian Deng, Bin Zhang, Cindy Orozco Bohorquez, et al. (+30) Austin Clyde, Bharat Kale, Danilo Perez-Rivera, Heng Ma, Carla M. Mann, Michael Irvin, Defne G. Ozgulbas, Natalia Vassilieva, James Gregory Pauloski, Logan Ward, Valerie Hayot-Sasson, Murali Emani, Sam Foreman, Zhen Xie, Diangen Lin, Maulik Shukla, Weili Nie, Josh Romero, Christian Dallago, Arash Vahdat, Chaowei Xiao, Thomas Gibbs, Ian Foster, James J. Davis, Michael E. Papka, Thomas Brettin, Rick Stevens, Anima Anandkumar, Venkatram Vishwanath, Arvind Ramanathan |
| 2 |
[GO] |
2023―Jul―29 |
Running ahead of evolution-AI-based simulation for predicting future high-risk SARS-CoV-2 variants |
Jie Chen, Zhiwei Nie, Yu Wang, Kai Wang, Fan Xu, Zhiheng Hu, et al. (+14) Bing Zheng, Zhennan Wang, Guoli Song, Jingyi Zhang, Jie Fu, Xiansong Huang, Zhongqi Wang, Zhixiang Ren, Qiankun Wang, Daixi Li, Dongqing Wei, Bin Zhou, Chao Yang, Yonghong Tian |
| 3 |
[GO] |
2022―Oct―20 |
Data-driven scalable pipeline using national agent-based models for real-time pandemic response and decision support |
Parantapa Bhattacharya, Jiangzhuo Chen, Stefan Hoops, Dustin Machi, Bryan Lewis, Srinivasan Venkatramanan, et al. (+17) Mandy L. Wilson, Brian Klahn, Aniruddha Adiga, Benjamin Hurt, Joseph Outten, Abhijin Adiga, Andrew Warren, Young Yun Baek, Przemyslaw Porebski, Achla Marathe, Dawen Xie, Samarth Swarup, Anil Vullikanti, Henning Mortveit, Stephen Eubank, Christopher L. Barrett, Madhav Marathe |
| 4 |
[GO] |
2022―Oct―07 |
Digital transformation of droplet/aerosol infection risk assessment realized on “Fugaku” for the fight against COVID-19 |
Kazuto Ando, Rahul Bale, ChungGang Li, Satoshi Matsuoka, Keiji Onishi, Makoto Tsubokura |
| 5 |
[GO] |
2022―Oct―07 |
Language models for the prediction of SARS-CoV-2 inhibitors |
Andrew E Blanchard, John Gounley, Debsindhu Bhowmik, Mayanka Chandra Shekar, Isaac Lyngaas, Shang Gao, et al. (+4) Junqi Yin, Aristeidis Tsaris, Feiyi Wang, Jens Glaser |
| 6 |
[GO] |
2022―Oct―03 |
#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol |
Abigail Dommer, Lorenzo Casalino, Fiona Kearns, Mia Rosenfeld, Nicholas Wauer, Surl-Hee Ahn, et al. (+46) John Russo, Sofia Oliveira, Clare Morris, Anthony Bogetti, Anda Trifan, Alexander Brace, Terra Sztain, Austin Clyde, Heng Ma, Chakra Chennubhotla, Hyungro Lee, Matteo Turilli, Syma Khalid, Teresa Tamayo-Mendoza, Matthew Welborn, Anders Christensen, Daniel GA Smith, Zhuoran Qiao, Sai K Sirumalla, Michael O’Connor, Frederick Manby, Anima Anandkumar, David Hardy, James Phillips, Abraham Stern, Josh Romero, David Clark, Mitchell Dorrell, Tom Maiden, Lei Huang, John McCalpin, Christopher Woods, Alan Gray, Matt Williams, Bryan Barker, Harinda Rajapaksha, Richard Pitts, Tom Gibbs, John Stone, Daniel M. Zuckerman, Adrian J. Mulholland, Thomas Miller, Shantenu Jha, Arvind Ramanathan, Lillian Chong, Rommie E Amaro |
| 7 |
[GO] |
2022―Aug―22 |
Free energy perturbation-based large-scale virtual screening for effective drug discovery against COVID-19 |
Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, et al. (+6) Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo |
| 8 |
[GO] |
2022―Aug―05 |
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action |
Anda Trifan, Defne Gorgun, Michael Salim, Zongyi Li, Alexander Brace, Maxim Zvyagin, et al. (+28) Heng Ma, Austin Clyde, David Clark, David J Hardy, Tom Burnley, Lei Huang, John McCalpin, Murali Emani, Hyenseung Yoo, Junqi Yin, Aristeidis Tsaris, Vishal Subbiah, Tanveer Raza, Jessica Liu, Noah Trebesch, Geoffrey Wells, Venkatesh Mysore, Thomas Gibbs, James Phillips, S Chakra Chennubhotla, Ian Foster, Rick Stevens, Anima Anandkumar, Venkatram Vishwanath, John E Stone, Emad Tajkhorshid, Sarah A Harris, Arvind Ramanathan |
| 9 |
[GO] |
2021―Sep―11 |
A population data-driven workflow for COVID-19 modeling and learning |
Jonathan Ozik, Justin M Wozniak, Nicholson Collier, Charles M Macal, Mickaël Binois |
| 10 |
[GO] |
2021―Sep―11 |
Special Issue Introduction: The Gordon Bell Special Prize for HPC-Based COVID-19 Research Finalists |
Bronis R. de Supinski |
| 11 |
[GO] |
2021―May―03 |
Enabling rapid COVID-19 small molecule drug design through scalable deep learning of generative models |
Sam Ade Jacobs, Tim Moon, Kevin McLoughlin, Derek Jones, David Hysom, Dong H Ahn, et al. (+6) John Gyllenhaal, Pythagoras Watson, Felice C Lightstone, Jonathan E Allen, Ian Karlin, Brian Van Essen |
| 12 |
[GO] |
2021―Apr―21 |
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics |
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, Emilia P Barros, Terra Sztain, Surl-Hee Ahn, et al. (+23) 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 DC Maia, James C Phillips, Thorsten Kurth, Abraham C Stern, Lei Huang, John D McCalpin, Mahidhar Tatineni, Tom Gibbs, John E Stone, Shantenu Jha, Arvind Ramanathan, Rommie E Amaro |
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