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The severity of diseases gives rise to the need to develop new ideas for the discovery of drugs. Traditional drug development methods have been very costly and time consuming that is why computer-assisted methods have taken a center stage: they help in accelerating the whole process of drug development. Novel drugs are designed according to the specific protein target that plays an important role in a particular biological activity. Modern drug designing is based on receptor-ligand interactions according to which the drug binds inside the receptor’s binding pocket and modulates its function. Drug development relies on two main approaches–structurebased and ligand-based. If the 3D structure of the drug target or receptor is available, then drug designing is done on the basis of the structural information and it is called structure-based drug designing. But if the 3D structure of the receptor is not available then …