Molecular dynamics simulations of human DNA methyltransferase 3B with selective inhibitor nanaomycin A

2011 ◽  
Vol 176 (2) ◽  
pp. 185-191 ◽  
Author(s):  
Thomas Caulfield ◽  
José L. Medina-Franco
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dna Methyltransferase ◽  
Selective Inhibitor ◽  
Dna Methyltransferase 3B ◽  
Human Dna ◽  
Dynamics Simulations

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

RSC Advances ◽  
2019 ◽  
Vol 9 (54) ◽  
pp. 31425-31434 ◽  
Author(s):  
Lanxuan Liu ◽  
Ting Shi ◽  
Kendall N. Houk ◽  
Yi-Lei Zhao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dna Methyltransferase ◽  
De Novo ◽  
Human Beings ◽  
Epigenetic Methylation ◽  
Key Enzyme ◽  
Dynamics Simulations

The AML-related high-frequent R882H mutation of DNA (cytosine-5)-methyltransferase 3A (DNMT3A), a key enzyme for de novo epigenetic methylation in human beings, was characterized by a disturbing conformation of S-adenosylmethionine (SAM).

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