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Discovery of SARS-CoV-2 papain-like protease (PLpro) inhibitors with efficacy in a murine infection model Garnsey, Michelle R.; Robinson, Matthew C.; Nguyen, Luong T.; Cardin, Rhonda; Tillotson, Joseph; Mashalidis, Ellene; Yu, Aijia; Aschenbrenner, Lisa; Balesano, Amanda; Behzadi, Amin; Boras, Britton; Chang, Jeanne S.; Eng, Heather; Ephron, Andrew; Foley, Tim; Ford, Kristen K.; Frick, James M.; Gibson, Scott; Hao, Li; Hurst, Brett; Kalgutkar, Amit S.; Korczynska, Magdalena; Lengyel-Zhand, Zsofia; Gao, Liping; Meredith, Hannah R.; Patel, Nandini C.; Polivkova, Jana; Rai, Devendra; Rose, Colin R.; Rothan, Hussin; Sakata, Sylvie K.; Vargo, Thomas R.; Qi, Wenying; Wu, Huixian; Liu, Yiping; Yurgelonis, Irina; Zhang, Jinzhi; Zhu, Yuao; Zhang, Lei; Lee, Alpha A. 分享 收藏
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Probing the chemical 'reactome' with high-throughput experimentation data King-Smith, Emma; Berritt, Simon; Bernier, Louise; Hou, Xinjun; Klug-McLeod, Jacquelyn L.; Mustakis, Jason; Sach, Neal W.; Tucker, Joseph W.; Yang, Qingyi; Howard, Roger M.; Lee, Alpha A. 分享 收藏
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Turning high-throughput structural biology into predictive inhibitor design Saar, Kadi L.; McCorkindale, William; Fearon, Daren; Boby, Melissa; Barr, Haim; Ben-Shmuel, Amir; London, Nir; von Delft, Frank; Chodera, John D.; Lee, Alpha A.; COVID Moonshot, Alpha A. 分享 收藏
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Expanding the Repertoire of Low-Molecular-Weight Pentafluorosulfanyl-Substituted Scaffolds Jose, Arathy; Guest, Daniel; LeGay, Remi; Tizzard, Graham J.; Coles, Simon J.; Derveni, Mariliza; Wright, Edward; Marrison, Lester; Lee, Alpha A.; Morris, Aaron; Robinson, Matt; von Delft, Frank; Fearon, Daren; Koekemoer, Lizbe; Matviuk, Tetiana; Aimon, Anthony; Schofield, Christopher J.; Malla, Tika R.; London, Nir; Greenland, Barnaby W.; Bagley, Mark C.; Spencer, John 分享 收藏
CACHE (Critical Assessment of Computational Hit-finding Experiments): A public-private partnership benchmarking initiative to enable the development of computational methods for hit-finding CACHE (计算命中发现实验的关键评估): 一项公私合作伙伴关系基准计划，旨在开发命中发现的计算方法 Ackloo, Suzanne; Al-awar, Rima; Amaro, Rommie E.; Arrowsmith, Cheryl H.; Azevedo, Hatylas; Batey, Robert A.; Bengio, Yoshua; Betz, Ulrich A. K.; Bologa, Cristian G.; Chodera, John D.; Cornell, Wendy D.; Dunham, Ian; Ecker, Gerhard F.; Edfeldt, Kristina; Edwards, Aled M.; Gilson, Michael K.; Gordijo, Claudia R.; Hessler, Gerhard; Hillisch, Alexander; Hogner, Anders; Irwin, John J.; Jansen, Johanna M.; Kuhn, Daniel; Leach, Andrew R.; Lee, Alpha A.; Lessel, Uta; Morgan, Maxwell R.; Moult, John; Muegge, Ingo; Oprea, Tudor, I; Perry, Benjamin G.; Riley, Patrick; Rousseaux, Sophie A. L.; Saikatendu, Kumar Singh; Santhakumar, Vijayaratnam; Schapira, Matthieu; Scholten, Cora; Todd, Matthew H.; Vedadi, Masoud; Volkamer, Andrea; Willson, Timothy M. 分享 收藏
Data-driven discovery of molecular photoswitches with multioutput Gaussian processes Griffiths, Ryan-Rhys; Greenfield, Jake L.; Thawani, Aditya R.; Jamasb, Arian R.; Moss, Henry B.; Bourached, Anthony; Jones, Penelope; McCorkindale, William; Aldrick, Alexander A.; Fuchter, Matthew J.; Lee, Alpha A. 分享 收藏
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