Robust Perron cluster analysis in conformation dynamics
نویسندگان
چکیده
منابع مشابه
Metastable Conformations via successive Perron-Cluster Cluster Analysis of dihedrals
Decomposition of the high dimensional conformational space of biomolecules into metastable subsets is used for data reduction of long molecular trajectories in order to facilitate chemical analysis and to improve convergence of simulations within these subsets. The metastability is identified by the Perron-Cluster Cluster Analysis of a Markov process that describes the thermodynamic distributio...
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ژورنال
عنوان ژورنال: Linear Algebra and its Applications
سال: 2005
ISSN: 0024-3795
DOI: 10.1016/j.laa.2004.10.026