Metastability and Markov State Models in Molecular Dynamics

Name: Metastability and Markov State Models in Molecular Dynamics
Brand: American Mathematical Society
SKU: 9780821843598
Price: 16459 HUF
Availability: InStock

Szerző: Christof Schutte

Nyelv:

Kötés: Puha kötésű

Kiadó: American Mathematical Society

Elérhetőség: 50 % esély

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Applications in modern biotechnology and molecular medicine often require simulation of biomolecular...

Információk a könyvről

Szerző

Christof Schutte

Nyelv

Angol

Kötés

Könyv - Puha kötésű

Kiadva

2013

oldal

133

EAN

9780821843598

ISBN

0821843591

Enbook ID

02537422

Kiadó

American Mathematical Society

Súly

266

Méretek

180 x 256 x 14

Teljes leírás

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.

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Metastability and Markov State Models in Molecular Dynamics

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