AI for science and global citizens

por Clyde, Austin
Publicado 2022

Deep learning methods for drug response prediction in cancer: Predominant and emerging trends

por Partin, Alexander, Brettin, Thomas S., Zhu, Yitan, Narykov, Oleksandr, Clyde, Austin, Overbeek, Jamie, Stevens, Rick L.
Publicado 2023

Learning curves for drug response prediction in cancer cell lines

por Partin, Alexander, Brettin, Thomas, Evrard, Yvonne A., Zhu, Yitan, Yoo, Hyunseung, Xia, Fangfang, Jiang, Songhao, Clyde, Austin, Shukla, Maulik, Fonstein, Michael, Doroshow, James H., Stevens, Rick L.
Publicado 2021

AI-accelerated protein-ligand docking for SARS-CoV-2 is 100-fold faster with no significant change in detection

por Clyde, Austin, Liu, Xuefeng, Brettin, Thomas, Yoo, Hyunseung, Partin, Alexander, Babuji, Yadu, Blaiszik, Ben, Mohd-Yusof, Jamaludin, Merzky, Andre, Turilli, Matteo, Jha, Shantenu, Ramanathan, Arvind, Stevens, Rick
Publicado 2023

A cross-study analysis of drug response prediction in cancer cell lines

por Xia, Fangfang, Allen, Jonathan, Balaprakash, Prasanna, Brettin, Thomas, Garcia-Cardona, Cristina, Clyde, Austin, Cohn, Judith, Doroshow, James, Duan, Xiaotian, Dubinkina, Veronika, Evrard, Yvonne, Fan, Ya Ju, Gans, Jason, He, Stewart, Lu, Pinyi, Maslov, Sergei, Partin, Alexander, Shukla, Maulik, Stahlberg, Eric, Wozniak, Justin M, Yoo, Hyunseung, Zaki, George, Zhu, Yitan, Stevens, Rick
Publicado 2021

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

por Bhati, Agastya P, Wan, Shunzhou, Alfè, Dario, Clyde, Austin R, Bode, Mathis, Tan, Li, Titov, Mikhail, Merzky, Andre, Turilli, Matteo, Jha, Shantenu, Highfield, Roger R, Rocchia, Walter, Scafuri, Nicola, Succi, Sauro, Kranzlmüller, Dieter, Mathias, Gerald, Wifling, David, Donon, Yann, Di Meglio, Alberto, Vallecorsa, Sofia, Ma, Heng, Trifan, Anda, Ramanathan, Arvind, Brettin, Tom, Partin, Alexander, Xia, Fangfang, Duan, Xiaotan, Stevens, Rick, Coveney, Peter V
Publicado 2021

Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers

por Bhati, Agastya P., Wan, Shunzhou, Alfè, Dario, Clyde, Austin R., Bode, Mathis, Tan, Li, Titov, Mikhail, Merzky, Andre, Turilli, Matteo, Jha, Shantenu, Highfield, Roger R., Rocchia, Walter, Scafuri, Nicola, Succi, Sauro, Kranzlmüller, Dieter, Mathias, Gerald, Wifling, David, Donon, Yann, Di Meglio, Alberto, Vallecorsa, Sofia, Ma, Heng, Trifan, Anda, Ramanathan, Arvind, Brettin, Tom, Partin, Alexander, Xia, Fangfang, Duan, Xiaotan, Stevens, Rick, Coveney, Peter V.
Publicado 2021

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

por Casalino, Lorenzo, Dommer, Abigail C, Gaieb, Zied, Barros, Emilia P, Sztain, Terra, Ahn, Surl-Hee, Trifan, Anda, Brace, Alexander, Bogetti, Anthony T, Clyde, Austin, Ma, Heng, Lee, Hyungro, Turilli, Matteo, Khalid, Syma, Chong, Lillian T, Simmerling, Carlos, Hardy, David J, Maia, Julio DC, Phillips, James C, Kurth, Thorsten, Stern, Abraham C, Huang, Lei, McCalpin, John D, Tatineni, Mahidhar, Gibbs, Tom, Stone, John E, Jha, Shantenu, Ramanathan, Arvind, Amaro, Rommie E
Publicado 2021

GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics

por Zvyagin, 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, Pauloski, J. 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
Publicado 2022

#COVIDisAirborne: AI-Enabled Multiscale Computational Microscopy of Delta SARS-CoV-2 in a Respiratory Aerosol

por 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 G. A., Qiao, Zhuoran, Sirumalla, Sai Krishna, 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, Mulholland, Adrian, Miller, Thomas, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie
Publicado 2021

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

por 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, Jha, Shantenu, Ramanathan, Arvind, Chong, Lillian, Amaro, Rommie E
Publicado 2022