Prediction of Drug Potencies of BACE1 Inhibitors: A Molecular Dynamics Simulation and MM_GB(PB)SA Scoring
Alzheimer’s disease (AD) is a progressive neurodegenerative brain disorder. One of the important therapeutic approaches of AD is the inhibition of β-site APP cleaving enzyme-1 (BACE1). This enzyme plays a central role in the synthesis of the pathogenic β-amyloid peptides (Aβ) in Alzheimer’s disease....
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-12-01
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| Series: | Computation |
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| Online Access: | https://www.mdpi.com/2079-3197/8/4/106 |