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Fundamental Reaction Mechanism for Cocaine Hydrolysis in Human Butyrylcholinesterase
Butyrylcholinesterase (BChE)-cocaine binding and the fundamental pathway for BChE-catalyzed hydrolysis of cocaine have been studied by molecular modelling, molecular dynamics (MD) simulations, and ab initio calculations. Modelling and simulations indicate that the structures of the prereactive BChE-...
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| Glavni autori: | , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2003
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| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2893393/ https://ncbi.nlm.nih.gov/pubmed/12603134 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja020850+ |
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