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Accelerating drug target inhibitor discovery with a deep generative foundation model Chenthamarakshan, Vijil; Hoffman, Samuel C.; Owen, C. David; Lukacik, Petra; Strain-Damerell, Claire; Fearon, Daren; Malla, Tika R.; Tumber, Anthony; Schofield, Christopher J.; Duyvesteyn, Helen M. E.; Dejnirattisai, Wanwisa; Carrique, Loic; Walter, Thomas S.; Screaton, Gavin R.; Matviiuk, Tetiana; Mojsilovic, Aleksandra; Crain, Jason; Walsh, Martin A.; Stuart, David I.; Das, Payel 分享 收藏
A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening Scantlebury, Jack; Vost, Lucy; Carbery, Anna; Hadfield, Thomas E.; Turnbull, Oliver M.; Brown, Nathan; Chenthamarakshan, Vijil; Das, Payel; Grosjean, Harold; von Delft, Frank; Deane, Charlotte M. 分享 收藏
Accelerating material design with the generative toolkit for scientific discovery Manica, Matteo; Born, Jannis; Cadow, Joris; Christofidellis, Dimitrios; Dave, Ashish; Clarke, Dean; Teukam, Yves Gaetan Nana; Giannone, Giorgio; Hoffman, Samuel C.; Buchan, Matthew; Chenthamarakshan, Vijil; Donovan, Timothy; Hsu, Hsiang Han; Zipoli, Federico; Schilter, Oliver; Kishimoto, Akihiro; Hamada, Lisa; Padhi, Inkit; Wehden, Karl; McHugh, Lauren; Khrabrov, Alexy; Das, Payel; Takeda, Seiji; Smith, John R. 分享 收藏
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Accelerated antimicrobial discovery via deep generative models and molecular dynamics simulations (vol 5, pg 613, 2021) 通过深度生成模型和分子动力学模拟加速抗菌发现 (第5卷，613页，2021) Das, Payel; Sercu, Tom; Wadhawan, Kahini; Padhi, Inkit; Gehrmann, Sebastian; Cipcigan, Flaviu; Chenthamarakshan, Vijil; Strobelt, Hendrik; dos Santos, Cicero; Chen, Pin-Yu; Yang, Yi Yan; Tan, Jeremy P. K.; Hedrick, James; Crain, Jason; Mojsilovic, Aleksandra 分享 收藏
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