Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors
低数据条件下的药物发现:利用计算流程发现新型SARS-CoV-2 Nsp14-甲基转移酶抑制剂
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doi:10.1101/2023.10.03.560722
Nigam, AkshatKumar; Hurley, Matthew F D; Li, Fengling; Konkoľová, Eva; Klíma, Martin; Trylčová, Jana; Pollice, Robert; Çinaroğlu, Süleyman Selim; Levin-Konigsberg, Roni; Handjaya, Jasemine; Schapira, Matthieu; Chau, Irene; Perveen, Sumera; Ng, Ho-Leung; Ümit Kaniskan, H; Han, Yulin; Singh, Sukrit; Gorgulla, Christoph; Kundaje, Anshul; Jin, Jian; Voelz, Vincent A; Weber, Jan; Nencka, Radim; Boura, Evzen; Vedadi, Masoud; Aspuru-Guzik, Alán