… 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 …

… In the current study, virtual screening of a small library of 1302 pyrrolizines bearing urea/thiourea
moieties was performed. The top-scoring hits were synthesised and evaluated for their …

… test at 95 % confidence level and test set prediction (r = 0.96). Hypo1 was then employed for
virtual screening … of pharmacophore modeling with virtual screening and molecular docking …

… Virtual screening and drug-likeness analysis In order to discover potential PFKFB3 inhibitors,
virtual screening was employed in this study. … In order to retain the highly active molecules, …

… to screen the Specs database. Hit compounds were subjected to molecular docking study
using a Molecular Operating Environment (MOE) software and to biological evaluation in vitro. …

… study aims identify promising dual inhibitors against hAChE and hBuChE by in silico approaches
(pharmacophore-based virtual screening and molecular docking… in virtual screening at …

… GLIDE (Grid-based Ligand Docking with Energetics) module of Schrödinger was … stepwise
molecular docking studies to screen the top hits. Firstly, the High throughput Virtual Screening …

… basis for selecting the better molecule from virtual screening. Enoxaparin showed better
MolDock … In virtual screenings of InterBioScreen, we find out a natural low molecular weight …

… The anticancer properties of chemical constituents used in this study have already been …
study utilizes the High-Throughput Virtual Screening followed by precise molecular docking …