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- W2897728792 abstract "An increasing number of ABC membrane protein structures are determined by cryo-electron microscopy and X-ray crystallography, consequently identifying differences between their conformations has become an arising issue. Therefore, we propose to define standardized measures for ABC Type I exporter structure characterization. We set conformational vectors, conftors, which describe the relative orientation of domains and can highlight structural differences. In addition, continuum electrostatics calculations were performed to characterize the energetics of membrane insertion illuminating functionally crucial regions. In summary, the proposed metrics contribute to deeper understanding of ABC membrane proteins' structural features, structure validation, and analysis of movements observed in a molecular dynamics trajectory. Moreover, the concept of standardized metrics can be applied not only to ABC membrane protein structures (http://conftors.hegelab.org)." @default.
- W2897728792 created "2018-10-26" @default.
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- W2897728792 date "2018-01-01" @default.
- W2897728792 modified "2023-10-16" @default.
- W2897728792 title "Quantitative comparison of ABC membrane protein type I exporter structures in a standardized way" @default.
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- W2897728792 doi "https://doi.org/10.1016/j.csbj.2018.10.008" @default.
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