Computational approaches to detect allosteric pathways in transmembrane molecular machines
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- 作者：Sebastian Stolzenberga ; b ; c ; Mayako Michinod ; Michael V. LeVineb ; Harel Weinsteinb ; e ; Lei Shib ; d ; lei.shi2@nih.gov" class="auth_mail" title="E-mail the corresponding author
- 关键词：Molecular dynamics ; Allosteric interaction network ; Transmembrane protein
- 刊名：Biochimica et Biophysica Acta (BBA)-Biomembranes
- 出版年：2016
- 出版时间：July 2016
- 年：2016
- 卷：1858
- 期：7
- 页码：1652-1662
- 全文大小：1021 K
文摘
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The allosteric mechanisms of transmembrane proteins are critical for their functions.
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Computational methods that analyze allosteric coupling network (ACN) are reviewed.
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The methods detect equilibrium coupled motions and allosteric interaction network.
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The application algorithm Protein Interaction Analyzer (PIA) is described in detail.
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Selected examples for computational detection of allostery in transmembrane proteins