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

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Bowman, Gregory R. (Επιμελητής έκδοσης), Pande, Vijay S. (Επιμελητής έκδοσης), Noé, Frank (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands : Imprint: Springer, 2014.
• Σειρά: Advances in Experimental Medicine and Biology, 797
• Θέματα: Medicine.; Molecular biology.; Physical chemistry.; Bioinformatics.; Computational biology.; Mathematics.; Physics.; Biomedicine.; Molecular Medicine.; Theoretical, Mathematical and Computational Physics.; Computer Appl. in Life Sciences.; Physical Chemistry.; Mathematics, general.

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...

Πίνακας περιεχομένων:

• 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.