Publication
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 Ε. 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
Journal of Chemical Information and Modeling, November 2024, American Chemical Society (ACS)
DOI: 10.1021/acs.jcim.4c01110