Molecular Modelling and Drug Designing

Molecular modeling has become a valuable and essential tool to healthful chemists within the drug design process. Molecular modeling illustrates the generation, manipulation or representation of three-dimensional structures of molecules and associated physico-chemical properties. It involves a variety of computerized techniques supported on theoretical chemistry methods and experimental data to predict molecular and biological properties. Based on the context and the rigor, the topic is commonly referred to as ‘molecular graphics’, ‘molecular visualizations’, ‘computational chemistry’, or ‘computational quantum chemistry’. Drug design is a creative act of the a similar magnitude as composing, sculpting, or writing. Whereas modelling software continues to mature, very little new has evolved in terms of hardware.

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