… we performed critical analyses such as molecular docking; molecular dynamic (MD) simulations;
… In the docking studies, the natural compound rutin showed a superior docking score of −…

… structurally diverse novel chemical entity as Top1 poison with better efficacy, Ligand-based-…
The molecule obtained after filtration was further scrutinized by molecular docking analysis …

… 5-LOX inhibitors have mostly relied on ligand based rational approaches. The present …
docking with already reported inhibitors and further calculated relative binding energies of docked …

… on docking methods). The main advantages of structure-based screening to ligand-based …
Researchers at Merck [54] have used docking to develop a novel series of potent glycogen …

… not find novel compounds as potential leads. Another limitation for ligand-based screening
is … Given their different advantages, both protein-based docking and ligand-based similarity …

… to docking-based methods for ligand-based target … to docking-based methods for virtual
screening and target identification of potential coronavirus antivirals. We hope this ligand-based …

… Ligand-based is one of the most widely practiced approaches in drug discovery and drug
design by medicinal chemists. The ligand-based … and the molecular docking simulation method …

… It can be seen in Table 2 that in the case of 1ELA, the rigid docking of the X-ray ligand to
the X-ray ligand-based site yields a high RMS of 4.83 Å, and this is also the result of a similar …

… ligand-based pharmacophore detection method. The present work elaborates the Ligand
based … various FDA approved Gliptin molecules to find novel potential DPP-IV inhibitor. Some …

… We performed molecular docking on 500 compounds obtained from the ligand-based
EDULISS screen. These 500 compounds were ranked based on their binding affinities. The top …