| Mpro | Main protease |
| SARS | Severe acute respiratory syndrome |
| COVID-19 | Coronavirus disease 2019 |
| SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 |
| CoVs | Coronaviruses |
| HCoV-NL63 | Human coronavirus NL63 |
| HCoV-229E | Human coronavirus 229E |
| HCoV-OC43 | Human coronavirus OC43 |
| HCoV-HKU1 | Human coronavirus HKU1 |
| SARS-CoV | Severe acute respiratory syndrome coronavirus |
| MERS-CoV | Middle East respiratory syndrome coronavirus |
| ORFs | Open reading frames |
| 3CLpro | Chymotrypsin-like cysteine protease |
| S | Spike surface glycoprotein |
| E | Small envelope protein |
| M | Matrix protein |
| N | Nucleocapsid protein |
| N3(PRD_002214) | N-[(5 methylisoxazol-3-yl)carbonyl] alanyl-L-valyl-N~1-((1R,2Z)-4-(benzyloxy)-4-oxo-1-{[(3R)-2-oxopyrrolidin-3-yl]methyl}but-2-enyl)-L-leucinamide |
| cMD | Classical molecular dynamics simulations |
| MixMD | Mixed-solvent molecular dynamics simulations |
| PDB | Protein Data Bank |
| MAV | Maximal accessible volume |
| ACN | Acetonitrile |
| BNZ | Benzene |
| DMSO | Dimethylsulfoxide |
| MEO | Methanol |
| PHN | Phenol |
| URE | Urea |
| CMA | Correlated mutation analysis |
| FDA | Food and Drug Administration |