AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors
人工智能促进虚拟筛选、基于结构的先导化合物优化和新型COVID-19 S-RBD结构域抑制剂的合成
期刊:Journal of Chemical Information and Modeling
影响因子:5.3
doi:10.1021/acs.jcim.4c01110
Gkekas, Ioannis; Katsamakas, Sotirios; Mylonas, Stelios; Fotopoulou, Theano; Magoulas, George Ε; Tenchiu, Alia Cristina; Dimitriou, Marios; Axenopoulos, Apostolos; Rossopoulou, Nafsika; Kostova, Simona; Wanker, Erich E; Katsila, Theodora; Papahatjis, Demetris; Gorgoulis, Vassilis G; Koufaki, Maria; Karakasiliotis, Ioannis; Calogeropoulou, Theodora; Daras, Petros; Petrakis, Spyros
