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Pathways of H(2) toward the Active Site of [NiFe]-Hydrogenase
Hydrogenases catalyze the reversible oxidation of molecular hydrogen (H(2)), but little is known about the diffusion of H(2) toward the active site. Here we analyze pathways for H(2) permeation using molecular dynamics (MD) simulations in explicit solvent. Various MD simulation replicates were done,...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biophysical Society
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1557583/ https://ncbi.nlm.nih.gov/pubmed/16731562 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.084376 |
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