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A Comprehensive Review of Cholinesterase Modeling and Simulation
2021
Biomolecules
The present article reviews published efforts to study acetylcholinesterase and butyrylcholinesterase structure and function using computer-based modeling and simulation techniques. Structures and models of both enzymes from various organisms, including rays, mice, and humans, are discussed to highlight key structural similarities in the active site gorges of the two enzymes, such as flexibility, binding site location, and function, as well as differences, such as gorge volume and binding site
doi:10.3390/biom11040580
pmid:33920972
pmcid:PMC8071298
fatcat:jl4cntpc7ff7phnv3txho72mm4