Catalytic Mechanism and Energy Barriers for Butyrylcholinesterase-Catalyzed Hydrolysis of Cocaine
Catalytic Mechanism and Energy Barriers for Butyrylcholinesterase-Catalyzed Hydrolysis of Cocaine
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United States: Elsevier Inc
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Language
English
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United States: Elsevier Inc
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Contents
The geometries of the transition states, intermediates, and prereactive enzyme-substrate complex and the corresponding energy barriers have been determined by performing hybrid quantum mechanical/molecular mechanical (QM/MM) calculations on butyrylcholinesterase (BChE)-catalyzed hydrolysis of (−)- and (+)-cocaine. The energy barriers were evaluated...
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Catalytic Mechanism and Energy Barriers for Butyrylcholinesterase-Catalyzed Hydrolysis of Cocaine
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TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_1366953
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_1366953
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ISSN
0006-3495
E-ISSN
1542-0086
DOI
10.1529/biophysj.105.070276
