Computational Approaches to Protein Dynamics

This book presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. It shows how these advanced methods provide insights into dynamic aspects of biochemical processes. The book covers a wide spectrum of dynamics, from electronic structure-based to coarse-grained techniques via multiscaling at different levels. It describes the methods and results of enzyme catalysis, examines computational techniques to tackle biological problems involving intrinsically disordered proteins (IDPs), and discusses computational issues related to experimental characterization of IDPs.