Table 2.
Molecular dynamics (MD) results from different models involving thyrotropin and your receptor.
Model | ΔGbind (kcal/mol) | RMSD (Å) | ΔGPMF (kcal/mol) |
---|---|---|---|
1. hTSH:hTSHR | −79.9 ± 0.1 | 3.2–4.4 | 13.3 ± 0.4 |
2. ag-TSH:sfTSHR | −73.0 | 5.8 | 13.1 ± 0.5 |
3. ag-TSH:hTSHR | −38.0 ± 2 | 6.3–12.6 | 5.6 ± 0.6 |
Abbreviations: PMF, potential of mean force; RMSD, root mean square deviation.