Evaluation Of Various Autodock Molecular Docking Programmes In Predicting The Neuraminidase Inhibitory Activity

Kajian ini dijalankan untuk menilai skor dan kedudukan program pendokkan molekul; AutoDock 3.0.5 (AD3), AutoDock 4.2 (AD4) dan AutoDock Vina (ADVina) dalam meramal aktiviti perencat neuraminidase dari NCI diversiti set II (DSII) dan untuk membandingkan skor kedudukan ligan dengan program Genetic Optimization Ligand Docking (GOLD) yang berfungsi sebagai ukuran kedudukan. This study was done to evaluate the scoring and ranking of molecular docking programmes; AutoDock 3.0.5 (AD3), AutoDock 4.2 (AD4) and AutoDock Vina (ADVina) in predicting the inhibitory activity of neuraminidase inhibitor taken from NCI Diversity set II (DSII) and to compare those ranking and scoring with that of Genetic Optimization Ligand Docking (GOLD), as the gold standard for ranking