Comparative Study of Elastic Network Model and Protein Contact Network for Protein Complexes: The Hemoglobin Case.

The overall topology and interfacial interactions play key roles in understanding structural and functional principles of protein complexes. Elastic Network Model (ENM) and Protein Contact Network (PCN) are two widely used methods for high throughput investigation of structures and interactions with...

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Publicado en:BioMed Research International Vol. 2017; pp. 1 - 16
Autores principales: Hu, Guang, Di Paola, Luisa, Liang, Zhongjie, Giuliani, Alessandro
Formato: equations & formulas pictorial research tables/charts Journal Article
Publicado: Wiley-Blackwell 1/22/2017
Acceso en línea:Ver este registro en EBSCOhost
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      dt: 1/22/2017
      vid: 2017
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      pub: Wiley-Blackwell
      place: Malden, Massachusetts
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        10.1155/2017/2483264
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        atl: Comparative Study of Elastic Network Model and Protein Contact Network for Protein Complexes: The Hemoglobin Case.
      aug:
        au:
          Hu, Guang
          Di Paola, Luisa
          Liang, Zhongjie
          Giuliani, Alessandro
        affil: Center for Systems Biology, School of Electronic and Information Engineering, Soochow University, Suzhou 215006, China
      sug:
        subj:
          Hemoglobins Analysis
          Models, Theoretical
          Molecular Structure
          Comparative Studies
          Binding Sites
          Bioinformatics
          Algorithms
          Descriptive Statistics
          Data Analysis Software
          Proteins Analysis
          Pearson's Correlation Coefficient
          Funding Source
      ab: The overall topology and interfacial interactions play key roles in understanding structural and functional principles of protein complexes. Elastic Network Model (ENM) and Protein Contact Network (PCN) are two widely used methods for high throughput investigation of structures and interactions within protein complexes. In this work, the comparative analysis of ENM and PCN relative to hemoglobin (Hb) was taken as case study. We examine four types of structural and dynamical paradigms, namely, conformational change between different states of Hbs, modular analysis, allosteric mechanisms studies, and interface characterization of an Hb. The comparative study shows that ENM has an advantage in studying dynamical properties and protein-protein interfaces, while PCN is better for describing protein structures quantitatively both from local and from global levels. We suggest that the integration of ENM and PCN would give a potential but powerful tool in structural systems biology.
      pubtype: Academic Journal
      doctype:
        equations & formulas
        pictorial
        research
        tables/charts
        Journal Article
      ougenre: Article
    language: English
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