Computational Structural Biology

Computational structural biology is a multidisciplinary field that combines the use of computer technology, biochemistry and structural biology to study and model the three-dimensional structures of biological macromolecules such as proteins, nucleic acids and carbohydrates. It has enabled researchers to gain unprecedented insight into how complex cellular systems work together, and provides a foundation for the development of novel therapeutic strategies and insights into disease mechanisms. Computational structural biology has been used to study and predict the structure, function and dynamics of proteins, nucleic acids, carbohydrates, and to analyze the interactions between them. It has also been used to gain a greater understanding of protein-ligand and protein-protein interactions, and to develop better drugs, vaccines, and other therapies to treat diseases. Additionally, computational structural biology has been employed to design proteins with specific properties and develop molecular diagnostics and assessments of structure-function relationships.