未登录
分享
收藏#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.
分享
收藏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
Trifan, 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
分享
收藏AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
Casalino, 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.
分享
收藏Scalable molecular dynamics on CPU and GPU architectures with NAMD使用NAMD在CPU和GPU架构上实现可扩展的分子动力学
Phillips, 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
分享
收藏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
分享
收藏NAMD goes quantum: an integrative suite for hybrid simulations
Melo, 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
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏Scalable molecular dynamics with NAMD使用NAMD的可扩展分子动力学
Phillips, JC; Braun, R; Wang, W; Gumbart, J; Tajkhorshid, E; Villa, E; Chipot, C; Skeel, RD; Kalé, L; Schulten, K
分享
收藏