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Proton Transfer Function of Carbonic Anhydrase: Insights from QM/MM simulations
Recent QM/MM analyses of proton transfer function of human carbonic anhydrase II (CAII) are briefly reviewed. The topics include a preliminary analysis of nuclear quadrupole coupling constant calculations for the zinc-ion and more detailed analyses of microscopic pK(a) of the zinc-bound water and fr...
Sparad:
| I publikationen: | Biochim Biophys Acta |
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| Huvudupphovsmän: | , , |
| Materialtyp: | Artigo |
| Språk: | Inglês |
| Publicerad: |
2009
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| Ämnen: | |
| Länkar: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6787916/ https://ncbi.nlm.nih.gov/pubmed/19679196 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bbapap.2009.07.026 |
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