Perturbation response scanning specifies key regions in subtilisin serine protease for both function and stability

Can one infer the amino acids of the enzymes that are responsible for the stability or the level of the catalytic activity by computationally experimenting on the inhibited enzyme in the enzyme-inhibitor complex? In this article, we answer this question positively both by designing molecular dynamic...

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Veröffentlicht in:	Journal of enzyme inhibition and medicinal chemistry 2015-11, Vol.30 (6), p.867-873
Hauptverfasser:	Abdizadeh, Haleh, Guven, Gokce, Atilgan, Ali Rana, Atilgan, Canan
Format:	Artikel
Sprache:	eng
Schlagworte:	Allostery conformational shift elastic network models Enzyme Stability enzyme-inhibitor complex molecular dynamics Molecular Dynamics Simulation Subtilisin - antagonists & inhibitors Subtilisin - chemistry Subtilisin - metabolism
Online-Zugang:	Volltext
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