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EVB Simulations of the Chemical Mechanism of ATP to cAMP Conversion by Anthrax Edema Factor()
The two-metal catalysis by the adenylyl cyclase domain of the anthrax edema factor toxin was simulated using the empirical valence bond (EVB) quantum mechanical/molecular mechanical approach. These calculations considered the energetics of the nucleophile deprotonation and a new PO bond formation in...
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| Main Authors: | , , |
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| Formáid: | Artigo |
| Teanga: | Inglês |
| Foilsithe: |
2013
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| Ábhair: | |
| Rochtain Ar Líne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4069339/ https://ncbi.nlm.nih.gov/pubmed/23480863 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi400088y |
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