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: Bowman Gregory R. Название: Introduction to Markov State Models and Their Application to ISBN: 9400776055 ISBN-13(EAN): 9789400776050 Издательство: Springer Рейтинг: Цена: 19564.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book introduces the mathematical foundations of Markov models and details how they can be used to analyze simulations and drive efficient simulations. It also presents some of the insights these models have yielded in a variety of applications.
Автор: Hartmut Ehrig; Hans-J?rg Kreowski; Grzegorz Rozenb Название: Graph Grammars and Their Application to Computer Science ISBN: 354054478X ISBN-13(EAN): 9783540544784 Издательство: Springer Рейтинг: Цена: 16769.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume contains selected papers from the 4th International Workshop on Graph Grammars and Their Application to Computer Science. The topics range from foundations through algorithmic and implementational aspects to various issues that arise in application areas.
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}.
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