Keywords:
Hochschulschrift
;
Forschungsbericht
Description / Table of Contents:
The key to molecular conformation dynamics is the direct identification of metastable conformations, which are almost invariant sets of molecular dynamical systems. Once some reversible Markov operator has been discretized, a generalized symmetric stochastic matrix arises. This matrix can be treated by Perron cluster analysis, a rather recent method involving a Perron cluster eigenproblem. The paper presents an improved Perron cluster analysis algorithm, which is more robust than earlier suggestions. Numerical examples are included.
Type of Medium:
Online Resource
Pages:
Online-Ressource (27 S., 1,02 MB)
Series Statement:
ZIB-report 2003, 19
URL:
http://webdoc.sub.gwdg.de/ebook/serien/ah/reports/zib/zib2003/paperweb/abstracts/ZR-03-19/default.htm
URL:
https://edocs.tib.eu/files/e01fn06/493044353.pdf
URL:
https://edocs.tib.eu/files/e01fn06/493044353l.pdf
Language:
English
Note:
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