CiNii 図書 - Thermodynamics and statistical mechanics of macromolecular systems

The structural mechanics of proteins that fold into functional shapes, polymers that aggregate and form clusters, and organic macromolecules that bind to inorganic matter can only be understood through statistical physics and thermodynamics. This book reviews the statistical mechanics concepts and tools necessary for the study of structure formation processes in macromolecular systems that are essentially influenced by finite-size and surface effects. Readers are introduced to molecular modeling approaches, advanced Monte Carlo simulation techniques, and systematic statistical analyses of numerical data. Applications to folding, aggregation, and substrate adsorption processes of polymers and proteins are discussed in great detail. Particular emphasis is placed on the reduction of complexity by coarse-grained modeling, which allows for the efficient, systematic investigation of structural phases and transitions. Providing insight into modern research at this interface between physics, chemistry, biology, and nanotechnology, this book is an excellent reference for graduate students and researchers.

Preface and outline
1. Introduction
2. Statistical mechanics: a modern review
3. The complexity of minimalistic lattice models for protein folding
4. Monte Carlo and chain growth methods for molecular simulations
5. First insights to freezing and collapse of flexible polymers
6. Crystallization of elastic polymers
7. Structural phases of semiflexible polymers
8. Generic tertiary folding properties of proteins in mesoscopic scales
9. Protein folding channels and kinetics of two-state folding
10. Inducing generic secondary structures by constraints
11. Statistical analyses of aggregation processes
12. Hierarchical nature of phase transitions
13. Adsorption of polymers at solid substrates
14. Hybrid protein-substrate interfaces
15. Concluding remarks and outlook
Notes
References
Index.

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Thermodynamics and statistical mechanics of macromolecular systems

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