| AD | Alzheimer’s disease |
| Aβ | amyloid beta |
| ThT | thioflavin T |
| MD | molecular dynamics |
| ADMET | absorption, distribution, metabolism, excretion, toxicity |
| AChE | acetylcholinesterase |
| MM–GBSA | molecular mechanics–generalized Born surface area |
| RMSD | root-mean-square deviation |
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