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Microsecond molecular dynamics simulation of Aβ42 and identification of a novel dual inhibitor of Aβ42 aggregation and BACE1 activity.

Yuan-yuan Wang | Li Li | Tian-tian Chen | Wu-yan Chen | Ye-chun Xu
Acta pharmacologica Sinica | 2013

To study the conformational changes of Aβ42 and discover novel inhibitors of both Aβ42 aggregation and β-secretase (BACE1).

Pubmed ID: 23770985

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PyMOL (tool)

RRID:SCR_000305

A user-sponsored molecular visualization software system on an open-source foundation. The software has the capabilities to view, render, animate, export, present and develop three dimensional molecular structures.

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