Table 2 HDOCK free energy and RMSD scores for REF- and ALT- NSP14-RNA and NSP14-NSP10-RNA complexes
From: In depth analysis of Cyprus-specific mutations of SARS-CoV-2 strains using computational approaches
| Â | Mean docking score (kcal/mol) | Mean ligand rmsd (Ã…) |
|---|---|---|
REF-S6059F-ssRNA | − 210.759 | 147.084 |
ALT-S6059F-ssRNA | −210.208 | 147.022 |
REF-S6059F-dsRNA | − 207.585 | 144.734 |
ALT-S6059F-dsRNA | −206.933 | 144.414 |
Nsp14-nsp10-REF-S6059F-ssRNA | − 190.768, − 197.32a | 80.506, 66.387 |
Nsp14-nsp10-ALT-S6059F-ssRNA | − 195.228, −207.88 | 106.924, 67.26 |
Nsp14-nsp10-REF-S6059F-dsRNA | − 188.021, − 205.339 | 75.54, 69.589 |
Nsp14-nsp10-ALT-S6059F-dsRNA | − 192.135, − 215.547 | 108.507, 69.443 |