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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.
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.
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.