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The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehalogenase
Hybrid quantum mechanics/molecular mechanics calculations using Austin Model 1 system-specific parameters were performed to study the S(N)2 displacement reaction of chloride from 1,2-dichloroethane (DCE) by nucleophilic attack of the carboxylate of acetate in the gas phase and by Asp-124 in the acti...
Na minha lista:
Main Authors: | , , , |
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Formáid: | Artigo |
Teanga: | Inglês |
Foilsithe: |
The National Academy of Sciences
2000
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Ábhair: | |
Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC27632/ https://ncbi.nlm.nih.gov/pubmed/10963662 |
Clibeanna: |
Cuir Clib Leis
Gan Chlibeanna, Bí ar an gcéad duine leis an taifead seo a chlibeáil!
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