The term “Molecular Modelling” serves as an effective tool to visualize and stimulate the three-dimensional structures so as to predict and analyze the behavior and properties of macromolecules from the atomic level to data mining. This technique paves a way to organize compound properties into the database in order to develop novel drug compounds by performing virtual drug screening. Molecular modeling helps in representing molecular structures using computers with the equations of quantum and classical physics which takes to the discovery of new lead components in drugs.Molecular modeling encompasses all theoretical methods and computational techniques used to mimic and study the structure and behavior of molecules, ranging from small chemical systems to large biological molecules and material assemblies.
Research Article: Asian Journal of Plant Science & Research
Research Article: Asian Journal of Plant Science & Research