Table 1 Comparison of DOPE score, quality factor determination through ERRAT and stereochemical property generated by Ramachandran plot of five models predicted through MODELLER
From: In-silico screening of Schistosoma mansoni Sirtuin1 inhibitors for prioritization of drug candidates
Residues in most favored regions | Residues in additional allowed region | Residues in generously allowed region | Residue in disallowed region | DOPE Score | Overall quality score errat | |
|---|---|---|---|---|---|---|
Model1 | 0.858 | 0.125 | 0.009 | 0.009 | −43,519.9 | 53.971 |
Model2 | 0.906 | 0.083 | 0.009 | 0.002 | −44,363.7 | 60.000 |
Model3 | 0.875 | 0.112 | 0.009 | 0.004 | −43,488.5 | 48.381 |
Model4 | 0.877 | 0.116 | 0.004 | 0.002 | −43,591.1 | 56.883 |
Model5 | 0.891 | 0.096 | 0.011 | 0.002 | −43,627 | 55.052 |