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Molecular Modelling includes all strategies, hypothetical and computational, used to model or mimic the molecules. The techniques are utilized in the fields of computational science, drug design, computational chemistry and materials science to think about sub-atomic frameworks running from little concoction frameworks to huge natural particles and material groups. The regular element of sub-atomic demonstrating strategies is the atomistic level depiction of the sub-atomic frameworks. Molecular Modelling find a significant application in designing new potent drug to comabt diseases.