An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation


ISBN: 978-94-007-7605-0 (Print) 978-94-007-7606-7 (Online)

Table of contents (11 chapters)

  1. Front Matter

    Pages I-XII

  2. Chapter

    Pages 1-6

    Introduction and Overview of This Book

  3. Chapter

    Pages 7-22

    An Overview and Practical Guide to Building Markov State Models

  4. Chapter

    Pages 23-44

    Markov Model Theory

  5. Chapter

    Pages 45-60

    Estimation and Validation of Markov Models

  6. Chapter

    Pages 61-74

    Uncertainty Estimation

  7. Chapter

    Pages 75-90

    Analysis of Markov Models

  8. Chapter

    Pages 91-100

    Transition Path Theory

  9. Chapter

    Pages 101-106

    Understanding Protein Folding Using Markov State Models

  10. Chapter

    Pages 107-114

    Understanding Molecular Recognition by Kinetic Network Models Constructed from Molecular Dynamics Simulations

  11. Chapter

    Pages 115-138

    Markov State and Diffusive Stochastic Models in Electron Spin Resonance

  12. Chapter

    Pages 139-139

    Software for Building Markov State Models