Energetics and Mechanism of the Normal-to-Amyloidogenic Isomerization of beta 2-Microglobulin: On-the-Fly String Method Calculations

We use on-the-fly finite temperature string method in collective variables to study the transition from a normal to an amyloidogenic conformation of beta 2-microglobulin. We show that the protonation state of two histidine residues is of key importance and that under acidic (protonating) conditions,...

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Veröffentlicht in:	The journal of physical chemistry. B 2012-08, Vol.116 (31), p.9371-9375-9371-9375
Hauptverfasser:	Stober, Spencer T, Abrams, Cameron F
Format:	Artikel
Sprache:	eng
Schlagworte:	Barriers Free energy Histidine Isomerization Mathematical analysis Pocket Residues Strings
Online-Zugang:	Volltext
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