Coarse-Graining of Condensed Phase and Biomolecular Systems

Gregory A. Voth

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September 22, 2008 by CRC Press
Reference - 456 Pages - 24 Color & 144 B/W Illustrations
ISBN 9781420059557 - CAT# 59556

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Features

  • Covers the latest developments in the coarse-grained molecular dynamics simulation and modeling of condensed phase and biomolecular systems
  • Presents the main approaches to coarse-graining, including minimalist, inversion, and multiscale
  • Connects atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA
  • Describes the emerging challenges of coarse-graining, including the degree of “believable” predictive power of coarse-grained models and their transferability between dissimilar systems

Summary

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simulation and modeling of condensed phase and biomolecular systems.

Each chapter focuses on specific examples of evolving coarse-graining methodologies and presents results for a variety of complex systems. The contributors carefully detail their own coarse-graining approach, exploring its motivation, strengths, weaknesses, and important application examples. They discuss two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales.

Assembling the work of some of the most influential, world-renowned researchers in the field, this book provides a unified, in-depth overview of all the coarse-grained schemes developed for condensed phase and biomolecular systems. It shows the promise of coarse-graining as a revolutionary advancement in the scientific community.