… Despite the advantages of the virtual screening strategy proposed in this study, there are
some noteworthy limitations. First, although we have validated the accuracy of AutoDock, …

… Molecular docking studies using the selected ligand molecules were conducted using Maestro
10.5 molecular … The atomic docking study has done seek to outline the protein - ligands …

… ligand molecules were subjected to molecular docking studies. … identified from the virtual
screening that were subsequently … Rigorous docking studies were performed to identify the …

… by test set and Fischer’s randomization methods, and it was used for chemical database virtual
screening. … And these compounds were further evaluated using molecular docking study. …

… Pharmacophore model based virtual screening and docking analysis The virtual screening
steps … graphically with the number of hits decreased for every screening step (Figure 4 ). Pre-…

… Morphological similarity screening was applied to filter the ZINC database. … study high-scoring
compounds from virtual screening in combination with molecular docking and molecular …

… modeling of the H. pylori specific pantothenate synthetase, the molecular docking studies
with … compounds, pharmacophore based virtual screening, the ADMET studies and the detail …

… The virtual screening and molecular docking analysis of ISG15/Ub-S1 binding allosteric site
(2 nd site… The virtual screening and molecular docking were done using AutoDock Vina and …

… In this study, we developed a robust and highly usable GUI tool named Dockey for conducting
molecular docking and virtual screening experiments based on AutoDock and its variants. …

… In the present work, a detailed virtual screening regimen has been undertaken by using the
two pharmacophore models obtained previously [24] as 3D search queries to identify novel …