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Thermal Fluctuations of Biomolecules

An Approach to Understand the Subdiffusion in the Internal Dynamics of Peptides and Proteins
BuchKartoniert, Paperback
188 Seiten
Englisch
The understanding of biomolecular dynamics is a topic of primary interest in contemporary science, as the dynamics forms the basis of the individual function of proteins and peptides. The dynamical behavior of biomolecules covers time ranges from pico- to milli-seconds, and beyond. The natural environment of biomolecules, i.e. aqueous solution, is a source of permanent, dynamical perturbations. In the present work, the time evolution of biomolecules is examined with respect to the thermally driven fluctuations. Molecular dynamics simulation allows the dynamics of polypeptide chains to be analyzed up to the range of microsecond in full atomic detail. The fluctuations observed are manifestly different from a Brownian behavior and exhibit subdiffusive patterns. Various attempts to explain the underlying mechanism are reviewed, refined and discussed. Particularly, the continuous time random walk (CTRW) and Markovian Transition Network approaches are analyzed in some detail with respect to the simulation results obtained. The present work contributes to the fundamental understanding of the most general dynamical features of peptides and proteins.mehr

Produkt

KlappentextThe understanding of biomolecular dynamics is a topic of primary interest in contemporary science, as the dynamics forms the basis of the individual function of proteins and peptides. The dynamical behavior of biomolecules covers time ranges from pico- to milli-seconds, and beyond. The natural environment of biomolecules, i.e. aqueous solution, is a source of permanent, dynamical perturbations. In the present work, the time evolution of biomolecules is examined with respect to the thermally driven fluctuations. Molecular dynamics simulation allows the dynamics of polypeptide chains to be analyzed up to the range of microsecond in full atomic detail. The fluctuations observed are manifestly different from a Brownian behavior and exhibit subdiffusive patterns. Various attempts to explain the underlying mechanism are reviewed, refined and discussed. Particularly, the continuous time random walk (CTRW) and Markovian Transition Network approaches are analyzed in some detail with respect to the simulation results obtained. The present work contributes to the fundamental understanding of the most general dynamical features of peptides and proteins.
Details
ISBN/GTIN978-3-8381-1145-2
ProduktartBuch
EinbandartKartoniert, Paperback
Erscheinungsjahr2009
Erscheinungsdatum12.10.2009
Seiten188 Seiten
SpracheEnglisch
Artikel-Nr.11197539

Autor

Thomas Neusius studied physics at the Universities of Heidelberg,Germany and Grenoble, France. He worked as researcher at theInterdisciplinary Center of Scientific Computing in Heidelbergand at the Oak Ridge National Lab in Tennessee. He received his PhDin 2009 based on the present work.
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