Cargando…
Free Energy Profile of APOBEC3G Protein Calculated by a Molecular Dynamics Simulation
The human APOBEC3G protein (A3G) is a single-stranded DNA deaminase that inhibits the replication of retrotransposons and retroviruses, including HIV-1. Atomic details of A3G’s catalytic mechanism have started to emerge, as the structure of its catalytic domain (A3Gctd) has been revealed by NMR and...
Autores principales: | Fukunishi, Yoshifumi, Hongo, Saki, Lintuluoto, Masami, Matsuo, Hiroshi |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4009775/ https://www.ncbi.nlm.nih.gov/pubmed/24832225 http://dx.doi.org/10.3390/biology1020245 |
Ejemplares similares
-
Molecular Dynamics Simulation Study on Allosteric
Regulation of CD44-Hyaluronan Binding as a Force Sensing Mechanism
por: Lintuluoto, Masami, et al.
Publicado: (2021) -
Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation
por: Fukunishi, Yoshifumi, et al.
Publicado: (2012) -
Improved
Reweighting of Accelerated Molecular Dynamics
Simulations for Free Energy Calculation
por: Miao, Yinglong, et al.
Publicado: (2014) -
Investigation on substrate specificity and catalytic activity of serine protease neuropsin
por: Lintuluoto, Masami, et al.
Publicado: (2022) -
Multiple protonation states in ligand-free SARS-CoV-2 main protease revealed by large-scale quantum molecular dynamics simulations
por: Ono, Junichi, et al.
Publicado: (2022)