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N(2)H(2) binding to the nitrogenase FeMo cluster studied by QM/MM methods
We have made a systematic combined quantum mechanical and molecular mechanical (QM/MM) investigation of possible structures of the N(2) bound state of nitrogenase. We assume that N(2) is immediately protonated to a N(2)H(2) state, thereby avoiding the problem of determining the position of the proto...
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| Publicado no: | J Biol Inorg Chem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7186253/ https://ncbi.nlm.nih.gov/pubmed/32266560 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00775-020-01780-5 |
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