Coarse-Graining of Condensed Phase and Biomolecular Systems
eBook - PDF

Coarse-Graining of Condensed Phase and Biomolecular Systems

  1. 456 pages
  2. English
  3. PDF
  4. Available on iOS & Android
eBook - PDF

Coarse-Graining of Condensed Phase and Biomolecular Systems

About this book

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. Assembling some of the most influential, world-renowned researchers in the field, this book covers the latest developments in the coarse-grained molecular dynamics 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 discuss the minimalist, inversion, and multiscale approaches to coarse-graining, along with the emerging challenges of coarse-graining. They also connect atomic-level information with new coarse-grained representations of complex systems, such as lipid bilayers, proteins, peptides, and DNA.

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Yes, you can access Coarse-Graining of Condensed Phase and Biomolecular Systems by Gregory A. Voth in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.

Information

Publisher
CRC Press
Year
2008
Print ISBN
9781420059557
eBook ISBN
9781420059564
Edition
1
Topic
Physical Sciences
Subtopic
Chemistry
Index
Chemistry

Table of contents

  1. Front cover
  2. Table of Contents
  3. Acknowledgments
  4. Editor
  5. Contributors
  6. Chapter 1. Introduction
  7. Chapter 2. The MARTINI Force Field
  8. Chapter 3. The Multiscale Coarse- Graining Method: A Systematic Approach to Coarse-Graining
  9. Chapter 4. A Model for Lipid Bilayers in Implicit Solvent
  10. Chapter 5. Coarse-Grained Dynamics of Anisotropic Systems
  11. Chapter 6. State-Point Dependence and Transferability of Potentials in Systematic Structural Coarse-Graining
  12. Chapter 7. Systematic Approach to Coarse-Graining of Molecular Descriptions and Interactions with Applications to Lipid Membranes
  13. Chapter 8. Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
  14. Chapter 9. Coarse-Grained Structure-Based Simulations of Proteins and RNA
  15. Chapter 10. On the Development of Coarse-Grained Protein Models: Importance of Relative Side-Chain Orientations and Backbone Interactions
  16. Chapter 11. Characterization of Protein-Folding Landscapes by Coarse-Grained Models Incorporating Experimental Data
  17. Chapter 12. Principles and Practicalities of Canonical Mixed-Resolution Sampling of Biomolecules
  18. Chapter 13. Pathways of Conformational Transitions in Proteins
  19. Chapter 14. Insights into the Sequence- Dependent Macromolecular Properties of DNA from Base-Pair Level Modeling
  20. Chapter 15. Coarse-Grained Models for Nucleic Acids and Large Nucleoprotein Assemblies
  21. Chapter 16. Elastic Network Models of Coarse-Grained Proteins Are Effective for Studying the Structural Control Exerted over Their Dynamics
  22. Chapter 17. Coarse-Grained Elastic Normal Mode Analysis and Its Applications in X-Ray Crystallographic Refinement at Moderate Resolutions
  23. Chapter 18. Coarse-Grained Normal Mode Analysis to Explore Large-Scale Dynamics of Biological Molecules
  24. Chapter 19. One-Bead Coarse-Grained Models for Proteins
  25. Chapter 20. Application of Residue-Based and Shape-Based Coarse- Graining to Biomolecular Simulations
  26. Chapter 21. Coarse-Graining Protein Mechanics
  27. Chapter 22. Self-Assembly of Surfactants in Bulk Phases and at Interfaces Using Coarse-Grain Models
  28. Chapter 23. Coarse-Grained Simulations of Polyelectrolytes
  29. Chapter 24. Monte Carlo Simulations of a Coarse-Grain Model for Block Copolymer Systems
  30. Chapter 25. Structure-Based Coarse- and Fine-Graining in Soft Matter Simulations
  31. Chapter 26. From Atomistic Modeling of Macromolecules Toward Equations of State for Polymer Solutions and Melts: How Important Is the Accurate Description of the Local Structure?
  32. Chapter 27. Effective Interaction Potentials for Coarse-Grained Simulations of Polymer- Tethered Nanoparticle Self-Assembly in Solution
  33. Chapter 28. Coarse-Graining in Time: From Microscopics to Macroscopics
  34. Index
  35. Back cover