Quantum Mechanical Simulation Methods for Studying Biological Systems

This volume seeks to understand biological processes by taking a multi-disciplinary approach, employing the tools of biology, chemistry and physics. These approaches focus on biomacromolecules and their functions, which includes how they interact and react, and how information is transmitted between them. The text concentrates on quantum mechanical simulation techniques, which have developed rapidly in recent years. This covers quantum mechanical calculations of large systems, molecular dynamics combining quantum and classical algorithms, quantum dynamical simulations, and electron-proton transfer processes in proteins and solutions.