Main description:

Multiscale methods are ideally suited to simulate the processes at work in many biomolecular systems, which often span a large range of time and length scales. Multiscale Methods in Molecular Biophysics highlights the advantages of these methods for integrating different levels of detail in a single simulation setting. It covers the practical methodology and successful applications in areas such as enzyme catalysis, protein folding, and ligand binding. The book is divided into three main sections: combination quantum and classical (atomistic) descriptions, approaches that combine atomistic and coarse-grained level of details, and multiscale methods where the resolution coupling is between global collective coordinates and local details.

Contents:

From Quantum to Atomistic. Multiresolution Methods from Atomistic to Coarse-Grained. Coarse Variables Methods.