… of our analysis with … molecular docking approach and virtual screening identified some
promising candidate SARS-CoV-2 inhibitors that may be considered for further clinical studies…

… In this study a virtual screening procedure employing docking of different databases …
potential small molecule inhibitors for protease protein of COVID-19. The docking result indicates …

… In this study, by constructing a library of MO phytochemical … to virtual screening and molecular
docking experiments related … After the four-step screening process, involving screening for …

… Table 2 Docking study result for virtual screened compounds with reference to high affinity
virtual screened compounds with reference to high affinity established compound AEE788 (…

… Structure-Based Virtual Screening In this study, we performed structure-based virtual
screening with an antiviral compound database against the viral polymerase using the crystal …

… So, this study focused … modeling, virtual screening, ADMET, molecular docking and dynamic
simulation approaches to identify the possible natural antagonist against XIAP protein to …

… to calculate their docking score and binding energy by utilizing a series of scoring functions.
The virtual screening and molecular docking of the drug candidates on target protein could …

… were virtual screened by molecular docking … Molecular docking and molecular dynamics
have proven their pivotal role in the design and virtual screening of new bioactive molecules for …

… We then present the general workflow of structure-based virtual screening and strategies to
… of this research field by summarizing prospective applications of virtual screening based on …

… As a result, the current study revealed a newly screened chemical (PubChem CID: … ,
according to the ADMET study. This report implies that the virtual screened chemical could be a …