About Event

Computer-aided drug design (CADD) has been emerged as new field of modern drug discovery program. It represents computational methods and resources that are employed for facilitating the design and discovery of new potent therapeutic compounds. Especially the computational approaches like homology modeling, molecular docking, molecular dynamics and quantitative structure activity relationships (QSAR) are widely used to discover the new candidates for various therapeutic targets. Among these computational approaches, molecular docking is used to study the formation of intermolecular complexes of one smaller molecule (ligand/drug) with a larger molecule, which usually is a protein of known three-dimensional structure (drug target).