Metastability and Markov state models in molecular dynamics : modeling, analysis, algorithmic approaches

Author(s)

• Schütte, Christof
• Sarich, Marco

Bibliographic Information

Metastability and Markov state models in molecular dynamics : modeling, analysis, algorithmic approaches

Christof Schütte, Marco Sarich

（Courant lecture notes in mathematics, 24）

Courant Institute of Mathematical Sciences, New York University , American Mathematical Society, c2013

• : [pbk]

Note

Includes bibliographical references (p. 123-128)

Description and Table of Contents

Description

Applications in modern biotechnology and molecular medicine often require simulation of biomolecular systems in atomic representation with immense length and timescales that are far beyond the capacity of computer power currently available. As a consequence, there is an increasing need for reduced models that describe the relevant dynamical properties while at the same time being less complex. In this book the authors exploit the existence of metastable sets for constructing such a reduced molecular dynamics model, the so-called Markov State Model (MSM), with good approximation properties on the long timescales. With its many examples and illustrations, this book is addressed to graduate students, mathematicians, and practical computational scientists wanting an overview of the mathematical background for the ever increasing research activity on how to construct MSMs for very different molecular systems ranging from peptides to proteins, from RNA to DNA, and via molecular sensors to molecular aggregation. This book bridges the gap between mathematical research on molecular dynamics and its practical use for realistic molecular systems by providing readers with tools for performing in-depth analysis of simulation and data-analysis methods.

by "Nielsen BookData"

Details

• NCID: BB14574199
• ISBN:
  • 9780821843598
• LCCN: 2013033620
• Country Code: us
• Title Language Code: eng
• Text Language Code: eng
• Place of Publication: New York,Providence, R.I.
• Pages/Volumes: ix, 128 p.
• Size: 26 cm
• Classification:
  • LCC : QP517.M65
  • DC23 : 570.1/51
• Subject Headings:
  • LCSH : Molecular dynamics -- Statistical methods
  • LCSH : Markov processes
  • LCSH : Biomathematics
  • FREE : Probability theory and stochastic processes -- Markov processes -- Applications of Markov chains and discrete-time Markov processes on general state spaces (social mobility, learning theory, industrial processes, etc.). msc
  • FREE : Probability theory and stochastic processes -- Computational methods (not classified at a more specific level). msc
  • FREE : Operator theory -- Groups and semigroups of linear operators, their generalizations and applications -- Markov semigroups and applications to diffusion processes. msc
  • FREE : Probability theory and stochastic processes -- Markov processes -- Applications of Brownian motions and diffusion theory (population genetics, absorption problems, etc.). msc
  • FREE : Biology and other natural sciences -- Computational methods. msc
• Parent Bibliography ID:
  • BA42224256