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

Language: English

Published by Springer, Springer Sep 2016, 2016

9402407626 / 9789402407624

Series: Book 157 of 544 - Advances in Experimental Medicine and Biology

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This item is printed on demand - Print on Demand Titel. Neuware -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 timescales using short simulations of detailed molecular models.2) How to systematically gain insight from the resulting sea of data.MSMs do this by providing a compact representation of the vast conformational space available to biomolecules by decomposing it into states sets of rapidly interconverting conformations and the rates of transitioning between states.This kinetic definition allows one to easily vary the temporal and spatial resolution of an MSM from high-resolution models capable of quantitative agreement with (or prediction of) experiment to low-resolution models that facilitate understanding. Additionally, MSMs facilitate the calculation of quantities that are difficult to obtain from more direct MD analyses, such as the ensemble of transition pathways.This book introduces the mathematical foundations of Markov models, how they can be used to analyze simulations and drive efficient simulations, and some of the insights these models have yielded in a variety of applications of molecular simulation.Springer-Verlag KG, Sachsenplatz 4-6, 1201 Wien 152 pp. Englisch.

Seller Inventory # 9789402407624

Title
An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
Author
Gregory R. Bowman
Publisher
Springer, Springer Sep 2016
Publication year
2016
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
9402407626
ISBN 13
9789402407624
Item weight
300 grams
Dimensions
254x178x9 mm
Series
Book 157 of 544: Advances in Experimental Medicine and Biology

buchversandmimpf2000

Emtmannsberg, BAYE, Germany

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