… input for docking study was downloaded from virtual screening hits of … docking studies. The
generated output file (Best conformations of the ligands) was further used for docking studies (…

… In this study, we analyzed the challenges of virtual screening, with the aim of identifying … of
molecular docking software and the strategy of high-throughput molecular docking calculation, …

… In the present study, pharmacophore-based virtual screening and molecular docking were
… from the pharmacophore-based virtual screening were subjected to molecular docking …

… them on the basis of their interaction patterns and docking score. In this study, virtual screening
via drug-like ADME filter, pharmacophore model, and docking studies was carried out for …

… Virtual screening of small molecule is one aspect of a sophisticated approach in drug discovery
(44). Virtual screening … work flow of virtual screening strategy used in this study. Among ∼…

… , ADMET analysis and molecular dynamics (MD) simulation [32]. … the virtual screening of
small molecules against RdRp [33] and Mpro [34] using molecular docking, ADMET analysis …

… We have created a small set of molecules with diverse structures that have been identified
from the virtual screening study followed by a clustering analysis. It is hoped that this study will …

… research aims to develop novel quinazoline derivatives through structure-based virtual
screening, molecular docking, and molecular … structure- based virtual screening and the Lipinski …

… Virtual screening involves a number of different … a virtual compound collection to a more
manageable size. In this paper we describe the use of molecular docking as a virtual screening …

… studied by docking and MD simulation; class III HDAC inhibitors were designed by molecular
docking and virtual screening… HDAC6 were researched through docking and MD simulation …