Computationally driven discovery of SARS-CoV-2 M pro inhibitors: from design to experimental validation L El Khoury, Z Jing, A Cuzzolin, A Deplano, D Loco, B Sattarov, F Hédin, ... Chemical science 13 (13), 3674-3687, 2022 | 26 | 2022 |
Interfacial water many-body effects drive structural dynamics and allosteric interactions in SARS-CoV-2 main protease dimerization interface D El Ahdab, L Lagardere, TJ Inizan, F Célerse, C Liu, O Adjoua, LH Jolly, ... The journal of physical chemistry letters 12 (26), 6218-6226, 2021 | 18 | 2021 |