- Contains comprehensive reviews of the most advanced multiscale modeling methods in protein structure prediction
- Presents a wide range of approaches to the levels of coarse-grained representations
- Can be used as a reference book for those who just are beginning with biomacromolecular modeling, and also as a source of more detailed information for experts in the field
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- About this book
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Multiscale Approaches to Protein Modeling is a comprehensive review of the most advanced multiscale methods for protein structure prediction, computational studies of protein dynamics, folding mechanisms and macromolecular interactions. The approaches span a wide range of the levels of coarse-grained representations, various sampling techniques and variety of applications to biomedical and biophysical problems. Thanks to enormous progress in sequencing of genomic data, we presently know millions of protein sequences. At the same time, the number of experimentally solved protein structures is much smaller, ca. 60,000. This is because of the large cost of structure determination. Thus, theoretical, in silico, prediction of protein structures and dynamics is essential for understanding the molecular basis of drug action, metabolic and signaling pathways in living cells, designing new technologies in the life science and material sciences. Unfortunately, a “brute force” approach remains impractical. Folding of a typical protein (in vivo or in vitro) takes milliseconds to minutes, while state-of-the-art all-atom molecular mechanics simulations of protein systems can cover only a time period range of nanosecond to microseconds. This is the reason for the enormous progress in development of various mutiscale modeling techniques, applied to protein structure prediction, modeling of protein dynamics and folding pathways, in silico protein engineering, model-aided interpretation of experimental data, modeling of macromolecular assemblies and theoretical studies of protein thermodynamics. Coarse-graining of the proteins’ conformational space is a common feature of all these approaches, although the details and the underlying physical models span a very broad spectrum.
- Table of contents (14 chapters)
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Lattice Polymers and Protein Models
Pages 1-20
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Multiscale Protein and Peptide Docking
Pages 21-33
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Coarse-Grained Models of Proteins: Theory and Applications
Pages 35-83
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Conformational Sampling in Structure Prediction and Refinement with Atomistic and Coarse-Grained Models
Pages 85-109
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Effective All-Atom Potentials for Proteins
Pages 111-126
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Table of contents (14 chapters)
- Download Preface 1 PDF (37 KB)
- Download Sample pages 1 PDF (1.9 MB)
- Download Table of contents PDF (33.8 KB)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Multiscale Approaches to Protein Modeling
- Editors
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- Andrzej Kolinski
- Copyright
- 2011
- Publisher
- Springer-Verlag New York
- Copyright Holder
- Springer Science+Business Media, LLC
- eBook ISBN
- 978-1-4419-6889-0
- DOI
- 10.1007/978-1-4419-6889-0
- Hardcover ISBN
- 978-1-4419-6888-3
- Softcover ISBN
- 978-1-4899-8236-0
- Edition Number
- 1
- Number of Pages
- XII, 355
- Topics
