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The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.
List of contents
Preface.- Lattice polymers and protein models.- Multiscale approach to protein and peptide docking.- Coarse-grained models of proteins: theory and applications.- Coarse-grained modeling of biomolecules with transferable force field.- Effective all-atom potentials for protein studies.- Statistical contact potentials in protein coarse-grained modeling: From pair to multi-body potentials.- Bridging the atomic and coarse-grained descriptions of collective motions in proteins.- Structure-based models of biomolecules: stretching of proteins, dynamics of knots, hydrodynamic effects, and indentation of virus capsids.- Sampling protein energy landscapes -the quest for efficient algorithms.- Protein structure prediction: from recognition of matches with known structures to recombination of fragments.- Genome-wide protein structure prediction using template fragment reassembly.- Multiscale approach to protein folding dynamics.- Error estimation of template-based protein structure models.- Evaluation of protein structure prediction methods: issues and strategies.- Index.
Summary
The book gives a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. It approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. This book is intended to be used as a reference book for those who are just beginning their adventure with biomacromolecular modeling but also as a valuable source of detailed information for those who are already experts in the field of biomacromolecular modeling and in related areas of computational biology or biophysics.
