CRC+Coarse-Graining of Condensed Phase and Biomolecular Systems 9781420059564+350愚愚币+PDF+永久有效
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xiii Contributors
1 1 Introduction
5 2 The MARTINI Force Field
21 3 The Multiscale Coarse- Graining Method
41 4 A Model for Lipid Bilayers in Implicit Solvent
59 5 Coarse-Grained Dynamics of Anisotropic Systems
69 6 State-Point Dependence and Transferability of Potentials in Systematic Structural Coarse-Graining
83 7 Systematic Approach to Coarse-Graining of Molecular Descriptions and Interactions with Applications to Lipid Membranes
107 8 Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
123 9 Coarse-Grained Structure-Based Simulations of Proteins and RNA
141 10 On the Development of Coarse-Grained Protein Models
157 11 Characterization of Protein-Folding Landscapes by Coarse-Grained Models Incorporating Experimental Data
171 12 Principles and Practicalities of Canonical Mixed-Resolution Sampling of Biomolecules
185 13 Pathways of Conformational Transitions in Proteins
205 14 Insights into the Sequence-Dependent Macromolecular Properties of DNA from Base-Pair Level Modeling
225 15 Coarse-Grained Models for Nucleic Acids and Large Nucleoprotein Assemblies
237 16 Elastic Network Models of Coarse-Grained Proteins Are Effective for Studying the Structural Control Exerted over Their Dynamics
255 17 Coarse-Grained Elastic Normal Mode ysis and Its Applications in X-Ray at Moderate Resolutions Crystallographic Refinement
267 18 Coarse-Grained Normal Mode ysis to Explore Large-Scale Dynamics of Biological Molecules
285 19 One-Bead Coarse-Grained Models for Proteins
299 20 Application of Residue-Based and Shape-Based Coarse-Graining to Biomolecular Simulations
317 21 Coarse-Graining Protein Mechanics
329 22 Self-Assembly of Surfactants in Bulk Phases and at Interfaces Using Coarse-Grain Models
343 23 Coarse-Grained Simulations of Polyelectrolytes
361 24 Monte Carlo Simulations of a Coarse-Grain Model for Block Copolymer Systems
379 25 Structure-Based Coarse- and Fine-Graining in Soft Matter Simulations
399 26 From Atomistic Modeling of Macromolecules Toward Equations of State for Polymer Solutions and Melts
415 27 Effective Interaction Potentials for Coarse-Grained Simulations of Polymer-Tethered Nanoparticle Self-Assembly in Solution
433 28 Coarse-Graining in Time
