The present article reviews published efforts to study acetylcholinesterase and
butyrylcholinesterase structure and function using computer-based modeling and simulation …

Alzheimer's disease (AD) is a complex neurodegenerative disease that leads to insidious
deterioration of brain functions and is considered the sixth leading cause of death in the …

Alzheimer's disease (AD) remains the most prevalent neurodegenerative disease, and no
effective treatment is available yet. Metal‐ion‐triggered aggregates of amyloid‐beta (Aβ) …

Donepezil is a second generation acetylcholinesterase (AChE) inhibitor for treatment of
Alzheimer's disease (AD). AChE is important for neurotransmission at neuromuscular …

Certain ligands slowly bind to acetylcholinesterase. As a result, there is a slow
establishment of enzyme-inhibitor equilibrium characterized by a slow onset of inhibition …

Acetylcholinesterase (AChE) inhibitors increase the retention of acetylcholine (ACh) in
synapses. Although they alleviate cognitive deficits in Alzheimer's disease, their limited …

Background: Jujube (Chinese date) is a fruit with a pleasant, sweet taste, traditionally used
as sedative to treat insomnia and anxiety. Objective: The study aims to explore the potential …

Acetylcholinesterase (AChE) is one of the most important drug targets for Alzheimer's
disease treatment. In this work, a combined approach involving machine-learning (ML) …

The umbrella sampling (US) approach has been demonstrated to be a very efficient method
for estimating the ligand‐binding affinity. However, most of the calculated values …

Acetylcholinesterase is one of the most significant known serine hydrolases that governs the
mammalian nervous system. Its high-rate speed, operating at the diffusion limit, combined …