Modeling the protonation states of β-secretase binding pocket by molecular dynamics simulations and docking studies

Published 2016 View Full Article

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Title
Modeling the protonation states of β-secretase binding pocket by molecular dynamics simulations and docking studies
Authors
Keywords
β-secretase, BACE1, Alzheimer’s disease, Protonation state, Molecular dynamic simulation, Molecular docking
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 68, Issue -, Pages 206-215
Publisher
Elsevier BV
Online
2016-07-20
DOI
10.1016/j.jmgm.2016.07.005

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