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Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations
Joint Authors
Schreiner, Wolfgang
Ribarics, Reiner
Ilieva, Nevena
Kenn, Michael
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-13, 13 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-05-15
Country of Publication
Egypt
No. of Pages
13
Main Subjects
Abstract EN
Dynamic variations in the distances between pairs of atoms are used for clustering subdomains of biomolecules.
We draw on a well-known target function for clustering and first show mathematically that the assignment of atoms to clusters has to be crisp, not fuzzy, as hitherto assumed.
This reduces the computational load of clustering drastically, and we demonstrate results for several biomolecules relevant in immunoinformatics.
Results are evaluated regarding the number of clusters, cluster size, cluster stability, and the evolution of clusters over time.
Crisp clustering lends itself as an efficient tool to locate semirigid domains in the simulation of biomolecules.
Such domains seem crucial for an optimum performance of subsequent statistical analyses, aiming at detecting minute motional patterns related to antigen recognition and signal transduction.
American Psychological Association (APA)
Kenn, Michael& Ribarics, Reiner& Ilieva, Nevena& Schreiner, Wolfgang. 2014. Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations. BioMed Research International،Vol. 2014, no. 2014, pp.1-13.
https://search.emarefa.net/detail/BIM-494199
Modern Language Association (MLA)
Kenn, Michael…[et al.]. Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations. BioMed Research International No. 2014 (2014), pp.1-13.
https://search.emarefa.net/detail/BIM-494199
American Medical Association (AMA)
Kenn, Michael& Ribarics, Reiner& Ilieva, Nevena& Schreiner, Wolfgang. Finding Semirigid Domains in Biomolecules by Clustering Pair-Distance Variations. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-13.
https://search.emarefa.net/detail/BIM-494199
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-494199