Ioannis Gkekas, Sotiris Katsamakas, Stelios K. Mylonas, Theano Fotopoulou, George Epsilon. 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. AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors. Journal of Chemical Information and Computer Sciences, 64(22):8562-8585, 2024. [doi]
@article{GkekasKMFMTDARKWKPGKKCD24,
title = {AI Promoted Virtual Screening, Structure-Based Hit Optimization, and Synthesis of Novel COVID-19 S-RBD Domain Inhibitors},
author = {Ioannis Gkekas and Sotiris Katsamakas and Stelios K. Mylonas and Theano Fotopoulou and George Epsilon. Magoulas and Alia Cristina Tenchiu and Marios Dimitriou and Apostolos Axenopoulos and Nafsika Rossopoulou and Simona Kostova and Erich E. Wanker and Theodora Katsila and Demetris Papahatjis and Vassilis G. Gorgoulis and Maria Koufaki and Ioannis Karakasiliotis and Theodora Calogeropoulou and Petros Daras and Spyros Petrakis},
year = {2024},
doi = {10.1021/acs.jcim.4c01110},
url = {https://doi.org/10.1021/acs.jcim.4c01110},
researchr = {https://researchr.org/publication/GkekasKMFMTDARKWKPGKKCD24},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {64},
number = {22},
pages = {8562-8585},
}