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Modeling the Catalysis of Anti-Cocaine Catalytic Antibody: Competing Reaction Pathways and Free Energy Barriers

The competing reaction pathways and the corresponding free energy barriers for cocaine hydrolysis catalyzed by an anti-cocaine catalytic antibody, mAb 15A10, were studied by using a novel computational strategy based on the binding free energy calculations on the antibody binding with cocaine and tr...

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Detalhes bibliográficos
Main Authors: Pan, Yongmei, Gao, Daquan, Zhan, Chang-Guo
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2878667/
https://ncbi.nlm.nih.gov/pubmed/18341277
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja077972s
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