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MODELING IN VITRO INHIBITION OF BUTYRYLCHOLINESTERASE USING MOLECULAR DOCKING, MULTI-LINEAR REGRESSION AND ARTIFICIAL NEURAL NETWORK APPROACHES
Butyrylcholinesterase (BChE) has been an important protein used for development of anti-cocaine medication. Through computational design, BChE mutants with ~2000-fold improved catalytic efficiency against cocaine have been discovered in our lab. To study drug-enzyme interaction it is important to bu...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3919557/ https://ncbi.nlm.nih.gov/pubmed/24290065 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2013.10.053 |
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