Computational Approaches to Protein Dynamics ─ From Quantum to CoarseGgrained Methods

This groundbreaking work addresses a crucial paradigm shift in structural molecular biology, illustrating how protein dynamics plays a central role in various functions, including enzymatic catalysis, protein–protein interactions, and the organization of complex assemblies. The book presents modern computational techniques for the characterization of proteins and their dynamic properties. The computational methods specifically address the dynamical aspects of protein functionalities, with special emphasis on the analysis of complex assemblies and intrinsically disordered proteins.

Monika Fuxreiter is head of the Laboratory of Protein Dynamics in the Department of Biochemistry and Molecular Biology at the University of Debrecen. She received her MSc and PhD from the Eotvos Lorand University of Sciences, and was a postdoctoral fellow at the University of Southern California under Arieh Warshel. Dr. Fuxreiter has 20 years of experience working on state-of-the-art approaches for biological systems, including partner recognition mechanisms of IDPs and unique regulatory mechanisms of fuzzy complexes and relationships to context-dependence.