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  <doc>
    <id>741</id>
    <completedYear/>
    <publishedYear/>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>reportzib</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>2003-07-01</completedDate>
    <publishedDate>2003-07-01</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Robust Perron Cluster Analysis in Conformation Dynamics</title>
    <abstract language="eng">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.</abstract>
    <identifier type="serial">03-19</identifier>
    <identifier type="opus3-id">742</identifier>
    <identifier type="urn">urn:nbn:de:0297-zib-7415</identifier>
    <enrichment key="SourceTitle">Appeared in : Linear Algebra and Its Applications, Special Issue on Matrices and Mathematical Biology, Vol. 398c, 161-184 (2005)</enrichment>
    <author>Peter Deuflhard</author>
    <author>Marcus Weber</author>
    <series>
      <title>ZIB-Report</title>
      <number>03-19</number>
    </series>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Markov chains</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>cluster algorithms</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Perron cluster analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>conformation dynamics</value>
    </subject>
    <collection role="ddc" number="000">Informatik, Informationswissenschaft, allgemeine Werke</collection>
    <collection role="msc" number="62H30">Classification and discrimination; cluster analysis [See also 68T10]</collection>
    <collection role="msc" number="65F15">Eigenvalues, eigenvectors</collection>
    <collection role="msc" number="91C20">Clustering [See also 62D05]</collection>
    <collection role="institutes" number="">ZIB Allgemein</collection>
    <collection role="persons" number="deuflhard">Deuflhard, Peter</collection>
    <collection role="persons" number="weber">Weber, Marcus</collection>
    <file>https://opus4.kobv.de/opus4-zib/files/741/ZR_03_19_erratum.pdf</file>
    <file>https://opus4.kobv.de/opus4-zib/files/741/ZR-03-19.ps</file>
    <file>https://opus4.kobv.de/opus4-zib/files/741/ZR-03-19.pdf</file>
  </doc>
</export-example>
