Characterization of de novo four-helix bundles by molecular dynamics simulations

2006 ◽  
Vol 64 (3) ◽  
pp. 719-729 ◽  
Author(s):  
Walter R. P. Scott ◽  
Emily Seo ◽  
Heidi Huttunen ◽  
Diana Wallhorn ◽  
John C. Sherman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
De Novo ◽  
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).

Characterization of the structural ensembles of p53 TAD2 by molecular dynamics simulations with different force fields

2018 ◽  
Vol 20 (13) ◽  
pp. 8676-8684 ◽  
Author(s):  
Yanhua Ouyang ◽  
Likun Zhao ◽  
Zhuqing Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Force Fields ◽  
Structural Ensembles ◽  
Dynamics Simulations

The conformations of p53 TAD2 in complexes and sampled in simulations with five force fields.

Sign in / Sign up

Export Citation Format

Share Document