Contemporary Methods in Modeling Biological Systems

This contributed volume offers a comprehensive overview of contemporary methods for modeling biological systems. It covers a range of topics, from theoretical models that predict molecular and catalytic properties to specialized techniques for modeling excited states and photoactive proteins. The book also explores modern empirical and data-driven methods for modeling large systems across extensive time scales. The basis set dependence in quantum chemical calculations that provide efficient strategies to enhance result precision is also presented while the application of these cutting-edge methods in pharmaceutical research, computational virology, and antioxidative properties is thoroughly overviewed. This book offers an invaluable resource for graduates, postgraduates and researchers in academia, industry, and laboratories interested in this field.