WHY IS MOLECULAR MODELLING IMPORTANT?


Molecular modelling includes all procedures, theoretical and computational, used to model or mimic the activities of molecules. The procedures are used in the areas of computational chemistry, drug design, computational biology and materials science to study molecular systems going from small chemical systems to large biological molecules and material assemblies.

Using molecular modelling scientists will be able to design better and new and more powerful drugs against diseases such as Cancer, AIDS, and Arthritis. Molecular modelling not only has the probability to bring fresh drugs to the market, but a huge collection of fresh materials. The discovery of fullerenes, nanotubes and superconducting cuprates, are estimated to produce fresh ingredients in the optics, ceramic, semiconductor and biomaterials markets.


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