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Save#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
Dommer, Abigail; Casalino, Lorenzo; Kearns, Fiona; Rosenfeld, Mia; Wauer, Nicholas; Ahn, Surl-Hee; Russo, John; Oliveira, Sofia; Morris, Clare; Bogetti, Anthony; Trifan, Anda; Brace, Alexander; Sztain, Terra; Clyde, Austin; Ma, Heng; Chennubhotla, Chakra; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Tamayo-Mendoza, Teresa; Welborn, Matthew; Christensen, Anders; Smith, Daniel Ga; Qiao, Zhuoran; Sirumalla, Sai K.; O'Connor, Michael; Manby, Frederick; Anandkumar, Anima; Hardy, David; Phillips, James; Stern, Abraham; Romero, Josh; Clark, David; Dorrell, Mitchell; Maiden, Tom; Huang, Lei; McCalpin, John; Woods, Christopher; Gray, Alan; Williams, Matt; Barker, Bryan; Rajapaksha, Harinda; Pitts, Richard; Gibbs, Tom; Stone, John; Zuckerman, Daniel M.; Mulholland, Adrian J.; Miller, Thomas, III; Jha, Shantenu; Ramanathan, Arvind; Chong, Lillian; Amaro, Rommie E. Share Save Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in actionTrifan, Anda; Gorgun, Defne; Salim, Michael; Li, Zongyi; Brace, Alexander; Zvyagin, Maxim; Ma, Heng; Clyde, Austin; Clark, David; Hardy, David J.; Burnley, Tom; Huang, Lei; McCalpin, John; Emani, Murali; Yoo, Hyenseung; Yin, Junqi; Tsaris, Aristeidis; Subbiah, Vishal; Raza, Tanveer; Liu, Jessica; Trebesch, Noah; Wells, Geoffrey; Mysore, Venkatesh; Gibbs, Thomas; Phillips, James; Chennubhotla, S. Chakra; Foster, Ian; Stevens, Rick; Anandkumar, Anima; Vishwanath, Venkatram; Stone, John E.; Tajkhorshid, Emad; Harris, Sarah A.; Ramanathan, Arvind Share Save AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamicsCasalino, Lorenzo; Dommer, Abigail; Gaieb, Zied; Barros, Emilia P.; Sztain, Terra; Ahn, Surl-Hee; Trifan, Anda; Brace, Alexander; Bogetti, Anthony; Ma, Heng; Lee, Hyungro; Turilli, Matteo; Khalid, Syma; Chong, Lillian; Simmerling, Carlos; Hardy, David J.; Maia, Julio D. C.; Phillips, James C.; Kurth, Thorsten; Stern, Abraham; Huang, Lei; McCalpin, John; Tatineni, Mahidhar; Gibbs, Tom; Stone, John E.; Jha, Shantenu; Ramanathan, Arvind; Amaro, Rommie E. Share Save Scalable molecular dynamics on CPU and GPU architectures with NAMDPhillips, James C.; Hardy, David J.; Maia, Julio D. C.; Stone, John E.; Ribeiro, Joao, V; Bernardi, Rafael C.; Buch, Ronak; Fiorin, Giacomo; Henin, Jerome; Jiang, Wei; McGreevy, Ryan; Melo, Marcelo C. R.; Radak, Brian K.; Skeel, Robert D.; Singharoy, Abhishek; Wang, Yi; Roux, Benoit; Aksimentiev, Aleksei; Luthey-Schulten, Zaida; Kale, Laxmikant, V; Schulten, Klaus; Chipot, Christophe; Tajkhorshid, Emad Share Save Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems (vol 13, pg 5933, 2017)Radak, Brian K.; Chipot, Christophe; Suh, Donghyuk; Jo, Sunhwan; Jiang, Wei; Phillips, James C.; Schulten, Klaus; Roux, Benoit Share Save NAMD goes quantum: an integrative suite for hybrid simulationsMelo, Marcelo C. R.; Bernardi, Rafael C.; Rudack, Till; Scheurer, Maximilian; Riplinger, Christoph; Phillips, James C.; Maia, Julio D. C.; Rocha, Gerd B.; Ribeiro, Joao V.; Stone, John E.; Neese, Frank; Schulten, Klaus; Luthey-Schulten, Zaida Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Share Save Scalable molecular dynamics with NAMDPhillips, JC; Braun, R; Wang, W; Gumbart, J; Tajkhorshid, E; Villa, E; Chipot, C; Skeel, RD; Kalé, L; Schulten, K Share Save 
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