mol2sphere: spherical decomposition of multi-domain molecules for visualization and coarse grained spatial modeling | Zendy

Joseph Masison | Zendy; Paul J. Michalski | Zendy; Leslie M. Loew | Zendy; Adam D. Schuyler | Zendy

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mol2sphere: spherical decomposition of multi-domain molecules for visualization and coarse grained spatial modeling

Author(s) -

Joseph Masison,

Paul J. Michalski,

Leslie M. Loew,

Adam D. Schuyler

Publication year - 2018

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/bty487

Subject(s) - visualization , computer science , decomposition , domain decomposition methods , domain (mathematical analysis) , algorithm , computational science , data mining , mathematics , chemistry , physics , mathematical analysis , organic chemistry , finite element method , thermodynamics

Proteins, especially those involved in signaling pathways are composed of functional modules connected by linker domains with varying degrees of flexibility. To understand the structure-function relationships in these macromolecules, it is helpful to visualize the geometric arrangement of domains. Furthermore, accurate spatial representation of domain structure is necessary for coarse-grain models of the multi-molecular interactions that comprise signaling pathways.

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