| |
original article |
Date |
Title |
Authors All Authors |
| 1 |
[GO] |
2021―Dec―26 |
Impact of Warhead Modulations on the Covalent Inhibition of SARS-CoV-2 Mpro Explored by QM/MM Simulations |
Sergio Martí, Kemel Arafet, Alessio Lodola, Adrian J. Mulholland, Katarzyna Świderek, Vicent Moliner |
| 2 |
[GO] |
2021―Mar―25 |
Multiscale Simulations of SARS-CoV-2 3CL Protease Inhibition with Aldehyde Derivatives. Role of Protein and Inhibitor Conformational Changes in the Reaction Mechanism |
Carlos A. Ramos-Guzmán, J. Javier Ruiz-Pernía, Iñaki Tuñón |
| 3 |
[GO] |
2020―Sep―28 |
Unraveling the SARS-CoV-2 Main Protease Mechanism Using Multiscale Methods |
Carlos A. Ramos-Guzmán, José Javier Ruiz-Pernía, Iñaki Tuñón |
| 4 |
[GO] |
2020―Apr―28 |
Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease |
Hao Wang, Shuai He, Weilong Deng, Ying Zhang, Guobang Li, Jixue Sun, et al. (+5) Wei Zhao, Yu Guo, Zheng Yin, Dongmei Li, Luqing Shang |
| 5 |
[GO] |
2020―Apr―03 |
ACS Catalysis in the Time of COVID-19 |
Christopher W. Jones |
|
