In recent years, in silico molecular-based docking techniques can improve
the efficiency and different domains of research cost and other hits. Molecular docking
has a key role in computer-aided drug design (CADD). Various key principles, tools,
procedure, and application of molecular docking has been reported. Numerous paid and
free tools are available for molecular docking analyses with a high level of biological
data into scoring energy functions. MOE (molecular operating environment) is a drugbased
visualization, simulation, docking, QSAR, and modeling software. MOE
scientific domains are pharmacy, computational chemistry, biotechnology, and
computational biology.
Keywords: CADD, Drug Design, MOE, Molecular Docking.
