پديدآورندگان :
Aghayari Mohsen Department of Physical Chemistry, Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran , Ashouri Mitra Department of Physical Chemistry, Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran , Firouzi Rouhollah RFirouzi@ccerci.ac.ir Department of Physical Chemistry, Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran;
چكيده فارسي :
Aβ is an intrinsically disordered peptide that plays a critical role in Alzheimer’s disease (AD). In this report, simulated annealing simulation coupled with MSM method has been used to characterize the extensive conformational heterogeneity associated with the dynamics of Aβ. It has been demonstrated that a single large cluster of the energy landscape of Aβ42-D23N populates a wide range of structurally dissimilar conformations that transitions between its different states occur very quickly.
