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AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors

Ioannis Gkekas, Sotirios Katsamakas,Stelios Mylonas,Theano Fotopoulou,George E. Magoulas, Alia Cristina Tenchiu,Marios Dimitriou,Apostolos Axenopoulos, Nafsika Rossopoulou,Simona Kostova,Erich E. Wanker,Theodora Katsila,Demetris Papahatjis,Vassilis G. Gorgoulis,Maria Koufaki,Ioannis Karakasiliotis,Theodora Calogeropoulou,Petros Daras,Spyros Petrakis

J Chem Inf Model（2024）

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