An efficient perturbation method to predict the functionally key sites of glutamine binding protein

[Display omitted] •Use of a coarse-grained method to predict key residues in a protein.•A thermodynamic cycle was applied to calculate the free energy changes.•The residues with relatively large ΔΔG values are considered to be key residues.•Key residues in 19 clusters distributed in different region...

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Veröffentlicht in:	Computational biology and chemistry 2017-04, Vol.67, p.62-68
Hauptverfasser:	Lv, Dashuai, Wang, Cunxin, Li, Chunhua, Tan, Jianjun, Zhang, Xiaoyi
Format:	Artikel
Sprache:	eng
Schlagworte:	Conformational transition Gaussian network model Glutamine binding protein Key residues Thermodynamic cycle
Online-Zugang:	Volltext
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