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Understanding the R882H mutation effects of DNA methyltransferase DNMT3A: a combination of molecular dynamics simulations and QM/MM calculations

DNA (cytosine-5)-methyltransferase 3A (DNMT3A), a key enzyme for de novo epigenetic methylation in human beings, was reported to undergo an R882H mutation in approximately 25% of M4/M5 subtype acute myeloid leukemia (AML) patients. In this work, a combination of classical molecular dynamics (MD) sim...

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Detalles Bibliográficos
Autores principales: Liu, Lanxuan, Shi, Ting, Houk, Kendall N., Zhao, Yi-Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072302/
https://www.ncbi.nlm.nih.gov/pubmed/35527972
http://dx.doi.org/10.1039/c9ra06791d