Molecular Modeling

Molecular modeling is the field of computational chemistry that uses mathematical and computer-based methods to study and predict the properties of molecules. This approach has become increasingly important as a tool for studying complex chemical, biological and physical systems, providing insights which are not otherwise possible. Molecular modeling helps in drug discovery and development, cosmetics and materials’ design and even in improving the understanding of renewable energy sources. It is also important for understanding the effects of environmental contaminants and for designing new materials for industrial processes. Additionally, it is a powerful tool for drug designing and virtual screening, where thousands of compounds can be tested in silico before synthesizing them, drastically reducing the cost of drug development.