Although molecular modeling has been around for a while, the groundbreaking advancement of massively parallel supercomputers and novel algorithms for parallelization is shaping this field into an exciting new area. Developments in molecular modeling from experimental and computational techniques have enabled a wide range of biological applications. Responding to this renaissance, Molecular Modeling at the Atomic Scale: Methods and Applications in Quantitative Biology includes discussions of advanced techniques of molecular modeling and the latest research advancements in...

The Latest Developments on the Role of Dynamics in Protein Functions

Computational Approaches to Protein Dynamics: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory. An international contingent of leading researchers in chemistry, physics, and biology show how these advanced methods provide insights into dynamic aspects of biochemical processes. A particular focus is on intrinsically disordered proteins (IDPs), which lack a well-defined...

Many researchers are choosing computational modeling of biomolecules to analyze data at a level of mechanistic detail that would otherwise prove difficult to achieve. This book reflects on the tremendous impact of computational modeling, focusing on coarse-grained simulations for biomolecules, such as proteins and nucleic acids, for which systems may be too large and the processes too slow for atomistic or quantum simulations. Coverage includes fundamentals as well as applications in state-of-the-art coarse-grained force fields of proteins and nucleic acids.