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收藏Language models for the prediction of SARS-CoV-2 inhibitors
Blanchard, Andrew E.; Gounley, John; Bhowmik, Debsindhu; Shekar, Mayanka Chandra; Lyngaas, Isaac; Gao, Shang; Yin, Junqi; Tsaris, Aristeidis; Wang, Feiyi; Glaser, Jens
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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
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收藏Dynamic Profiling of β-Coronavirus 3CL Mpro Protease Ligand-Binding Sites
Cho, Eunice; Rosa, Margarida; Anjum, Ruhi; Mehmood, Saman; Soban, Mariya; Mujtaba, Moniza; Bux, Khair; Moin, Syed T.; Tanweer, Mohammad; Dantu, Sarath; Pandini, Alessandro; Yin, Junqi; Ma, Heng; Ramanathan, Arvind; Islam, Barira; Mey, Antonia S. J. S.; Bhowmik, Debsindhu; Haider, Shozeb
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收藏Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19
Acharya, A.; Agarwal, R.; Baker, M. B.; Baudry, J.; Bhowmik, D.; Boehm, S.; Byler, K. G.; Chen, S. Y.; Coates, L.; Cooper, C. J.; Demerdash, O.; Daidone, I; Eblen, J. D.; Ellingson, S.; Forli, S.; Glaser, J.; Gumbart, J. C.; Gunnels, J.; Hernandez, O.; Irle, S.; Kneller, D. W.; Kovalevsky, A.; Larkin, J.; Lawrence, T. J.; LeGrand, S.; Liu, S-H; Mitchell, J. C.; Park, G.; Parks, J. M.; Pavlova, A.; Petridis, L.; Poole, D.; Pouchard, L.; Ramanathan, A.; Rogers, D. M.; Santos-Martins, D.; Scheinberg, A.; Sedova, A.; Shen, Y.; Smith, J. C.; Smith, M. D.; Soto, C.; Tsaris, A.; Thavappiragasam, M.; Tillack, A. F.; Vermaas, J. V.; Vuong, V. Q.; Yin, J.; Yoo, S.; Zahran, M.; Zanetti-Polzi, L.
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