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Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function
Characterization of cytochrome P450 2D6 (CYP2D6) and the impact of the major identified allelic variants on the activity of one of the most dominating drug-metabolising enzymes is essential to increase drug safety and avoid adverse reactions. Microsecond molecular dynamics simulations have been perf...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2018
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6104999/ https://www.ncbi.nlm.nih.gov/pubmed/30133539 http://dx.doi.org/10.1371/journal.pone.0202534 |