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

The aim of this book volume is to explain the importance of Markov state models to molecular simulation, how they work, and how they can be applied to a range of problems.  The Markov state model (MSM) approach aims to address two key challenges of molecular simulation: 1) How to reach long timescal...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Bowman, Gregory R. (Editor ), Pande, Vijay S. (Editor ), Noé, Frank (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht : Springer Netherlands : Imprint: Springer, 2014.
Edición:1st ed. 2014.
Colección:Advances in Experimental Medicine and Biology, 797
Temas:
Medicine-Research.
Biology-Research.
Mathematical physics.
Bioinformatics.
Physical chemistry.
Mathematics.
Biomedical Research.
Theoretical, Mathematical and Computational Physics.
Computational and Systems Biology.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • An overview and practical guide to building Markov state models
  • Markov model theory
  • Estimation and Validation of Markov models
  • Uncertainty estimation
  • Analysis of Markov models
  • Transition Path Theory
  • Understanding Protein Folding using Markov state models
  • Understanding Molecular Recognition by Kinetic Network Models Constructed from Molecular Dynamics Simulations
  • Markov State and Diffusive Stochastic Models in Electron Spin Resonance
  • Software for building Markov state models.

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