Multiscale Methods in Molecular Biophysics

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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 i n 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. Show more