Introduction to Markov State Models and Their Application to, Bowman Gregory R.

Автор: Gregory R. Bowman; Vijay S. Pande; Frank No?
Название: An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
ISBN: 9402407626 ISBN-13(EAN): 9789402407624
Издательство: Springer
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Цена: 149060.00 T
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Описание: 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.

Автор: Basu Debabrata
Название: Introduction To Classical And Modern Analysis And Their Application To Group Representation Theory
ISBN: 9814273295 ISBN-13(EAN): 9789814273299
Издательство: World Scientific Publishing
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Цена: 74970.00 T
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Описание: Suitable for graduate course on analytical methods and their application to representation theory, this book develops each concept with special emphasis on lucidity and clarity. It also shows the direct link of Cauchy-Pochhammer theory with the Hadmard-Reisz-Schwartz-Gel`fand regularization.

Автор: Itф Kiyosi
Название: Poisson Point Processes and Their Application to Markov Proc
ISBN: 9811002711 ISBN-13(EAN): 9789811002717
Издательство: Springer
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Цена: 46570.00 T
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Описание: An extension problem (often called a boundary problem) of Markov processes has been studied, particularly in the case of one-dimensional diffusion processes, by W. For this, Ito used, as a fundamental tool, the notion of Poisson point processes formed of all excursions of the process on S \ {a}.

Автор: Stroock Daniel W.
Название: An Introduction to Markov Processes
ISBN: 3540234519 ISBN-13(EAN): 9783540234517
Издательство: Springer
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Цена: 55890.00 T
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Описание: This book provides a rigorous but elementary introduction to the theory of Markov Processes on a countable state space. It should be accessible to students with a solid undergraduate background in mathematics, including students from engineering, economics, physics, and biology. Topics covered are: Doeblin's theory, general ergodic properties, and continuous time processes. A whole chapter is devoted to reversible processes and the use of their associated Dirichlet forms to estimate the rate of convergence to equilibrium.

Автор: Biebler Karl-Ernst & Wodny Michael
Название: Splines And Compartment Models: An Introduction
ISBN: 9814522228 ISBN-13(EAN): 9789814522229
Издательство: World Scientific Publishing
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Цена: 116160.00 T
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Описание: This book presents methods of mathematical modeling from two points of view. Splines provide a general approach while compartment models serve as examples for context related to modeling. The preconditions and characteristics of the developed mathematical models as well as the conditions surrounding data collection and model fit are taken into account. The substantial statements of this book are mathematically proven. The results are ready for application with examples and related program codes given.In this book, splines are algebraically developed such that the reader or user can easily understand and vary the numerical construction of the different kinds of spline functions. The classical compartment models of the pharmacokinetics are systematically analyzed and connected with lifetime distributions. As such, parameter estimation and model fit can be treated statistically with a varied minimum chi-square method. This method is applicable for single kinetics and also allows the calculation of average kinetics.

Автор: Stewart, William J.,
Название: Introduction to the numerical solution of Markov chains /
ISBN: 0691036993 ISBN-13(EAN): 9780691036991
Издательство: Wiley
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Цена: 145730.00 T
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Описание: Offers a systematic and detailed treatment of the numerical solution of Markov chains. This book explores various aspects of numerically computing solutions of Markov chains, especially when the state is huge. It examines many different numerical computing methods - direct, single-and multi-vector iterative, and projection methods.