What is molecular modeling in chemistry?

Molecular modeling is the science of representing molecular structures numerically and simulating their behavior with the equations of quantum and classical physics. Molecular modeling may be the only method that can reveal the nature of materials directly at the molecular level.

What is molecular Modelling Why is it important?

Molecular modeling is an efficient way of studying protein–protein interactions. It provides detailed information about how protein residues interact with each other at the atomic level. However, the accuracy of computer modeling is limited by the approximation and assumptions made in the process.

What is molecular Modelling & Drug Design?

Abstract. Molecular modeling has become a valuable and essential tool to medicinal chemists in the drug design process. Molecular modeling describes the generation, manipulation or representation of three-dimensional structures of molecules and associated physico-chemical properties.

What is molecular modelling in bioinformatics?

Molecular modelling is based on the development of theoretical and computational methodologies, to model and study the behaviour of molecules, from small chemical systems to large biological molecules and material assemblies. The basic computational technique to perform molecular modelling is simulation.

What is Biomolecular Modelling?

Molecular modelling encompasses all theoretical methods and computational techniques used to model or mimic the behaviour of molecules. The common feature of molecular modelling techniques is the atomistic level description of the molecular systems.

What is molecular mechanics describe its role in molecular modelling?

Molecular mechanics uses classical mechanics to model molecular systems. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms.