An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation: 797 (Advances in Experimental Medicine and Biology) - Tapa blanda
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Sinopsis
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.
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De la contraportada
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.
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation (eng)
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation (eng)
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation (Advances in Experimental Medicine and Biology, 797)
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
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Springer Netherlands, 2016
ISBN 10: 9402407626
ISBN 13: 9789402407624
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Condición: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. In-depth review of the mathematical underpinnings of Markov state modelsPractical insight into applying Markov state models to molecular systemsPoints readers to freely available software for constructing Markov state modelsThe a. Nº de ref. del artículo: 449919714
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
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Springer Netherlands, Springer Netherlands Sep 2016, 2016
ISBN 10: 9402407626
ISBN 13: 9789402407624
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Taschenbuch. Condición: Neu. This item is printed on demand - it takes 3-4 days longer - 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. 152 pp. Englisch. Nº de ref. del artículo: 9789402407624
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
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Taschenbuch. Condición: Neu. An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation | Gregory R. Bowman (u. a.) | Taschenbuch | Advances in Experimental Medicine and Biology | xii | Englisch | 2016 | Springer | EAN 9789402407624 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. Nº de ref. del artículo: 103327075
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
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Springer, Springer Sep 2016, 2016
ISBN 10: 9402407626
ISBN 13: 9789402407624
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Taschenbuch. Condición: Neu. 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. Nº de ref. del artículo: 9789402407624
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation (Advances in Experimental Medicine and Biology, 797)
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation
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Taschenbuch. Condición: Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. Nº de ref. del artículo: 9789402407624
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An Introduction to Markov State Models and Their Application to Long Timescale Molecular Simulation (Advances in Experimental Medicine and Biology, 797)
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