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Alexander Brace

oak ridge national laboratory

11H-index
40Paper Count
725Citation Count
Published Papers 9
Publication Date
Unsupervised Learning of Progress Coordinates during Weighted Ensemble Simulations: Application to NTL9 Protein Folding
err2025-03-19
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errLeung, Jeremy M. G.; Frazee, Nicolas C.; Brace, Alexander; Bogetti, Anthony T.; Ramanathan, Arvind
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Object Proxy Patterns for Accelerating Distributed Applications
err2025-02-01
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errPauloski, J. Gregory; Hayot-Sasson, Valerie; Ward, Logan; Brace, Alexander; Bauer, Andre; Chard, Kyle; Foster, Ian
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Employing artificial intelligence to steer exascale workflows with colmena
err2024-10-08
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errWard, Logan; Pauloski, J. Gregory; Hayot-Sasson, Valerie; Babuji, Yadu; Brace, Alexander; Chard, Ryan; Chard, Kyle; Thakur, Rajeev; Foster, Ian
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GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
err2023-10-27
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errZvyagin, Maxim; Brace, Alexander; Hippe, Kyle; Deng, Yuntian; Zhang, Bin; Bohorquez, Cindy Orozco; Clyde, Austin; Kale, Bharat; Perez-Rivera, Danilo; Ma, Heng; Mann, Carla M.; Irvin, Michael; Ozgulbas, Defne G.; Vassilieva, Natalia; Pauloski, James Gregory; Ward, Logan; Hayot-Sasson, Valerie; Emani, Murali; Foreman, Sam; Xie, Zhen; Lin, Diangen; Shukla, Maulik; Nie, Weili; Romero, Josh; Dallago, Christian; Vahdat, Arash; Xiao, Chaowei; Gibbs, Thomas; Foster, Ian; Davis, James J.; Papka, Michael E.; Brettin, Thomas; Stevens, Rick; Anandkumar, Anima; Vishwanath, Venkatram; Ramanathan, Arvind
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AI-enabled multiscale modeling of SARS-CoV-2 replication transcription complex
err2023-01-01
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errArvind, Ramanathan; Trifan, Anda; Ozgulbas, Defne; Brace, Alexander; Hippe, Kyle; Anandkumar, Anima; Harris, Sarah; Tajkhorshid, Emad; Stone, John
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#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
err2022-10-02
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errOAAI
errDommer, 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.
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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
err2022-08-05
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errTrifan, 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
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High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
err2021-11-18
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errClyde, Austin; Galanie, Stephanie; Kneller, Daniel W.; Ma, Heng; Babuji, Yadu; Blaiszik, Ben; Brace, Alexander; Brettin, Thomas; Chard, Kyle; Chard, Ryan; Coates, Leighton; Foster, Ian; Hauner, Darin; Kertesz, Vilmos; Kumar, Neeraj; Lee, Hyungro; Li, Zhuozhao; Merzky, Andre; Schmidt, Jurgen G.; Tan, Li; Titov, Mikhail; Trifan, Anda; Turilli, Matteo; Van Dam, Hubertus; Chennubhotla, Srinivas C.; Jha, Shantenu; Kovalevsky, Andrey; Ramanathan, Arvind; Head, Martha S.; Stevens, Rick
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AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
err2021-04-20
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errCasalino, 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.
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