scholarly journals Mixed-monolayer functionalized gold nanoparticles for cancer treatment: Atomistic molecular dynamics simulations study

Biosystems ◽  
2021 ◽  
Vol 202 ◽  
pp. 104354 ◽  
Author(s):  
Marina Kovacevic ◽  
Igor Balaz ◽  
Domenico Marson ◽  
Erik Laurini ◽  
Branislav Jovic
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Cancer Treatment ◽  
Molecular Dynamics Simulations ◽  
Mixed Monolayer ◽  
Functionalized Gold Nanoparticles ◽  
Dynamics Simulations

Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery

2019 ◽  
Vol 21 (24) ◽  
pp. 13099-13108 ◽  
Author(s):  
Susanna Monti ◽  
Jiya Jose ◽  
Athira Sahajan ◽  
Nandakumar Kalarikkal ◽  
Sabu Thomas
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Atomic Scale ◽  
Functionalized Gold Nanoparticles ◽  
Structure And Dynamics ◽  
Antibiotic Drug ◽  
Dynamics Simulations

Functionalized gold nanoparticles for antibiotic drug delivery: from the nanoscale to the atomic scale.

Rational design of selective HDAC2 inhibitors for liver cancer treatment: computational insights into the selectivity mechanism through molecular dynamics simulations and QM/MM calculation

2021 ◽  
Author(s):  
Ye Yang ◽  
Baichun Hu ◽  
Yi Yang ◽  
Kaihua Gong ◽  
Huibin Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Liver Cancer ◽  
Cancer Treatment ◽  
Molecular Dynamics Simulations ◽  
Histone Deacetylase ◽  
Rational Design ◽  
Therapeutic Treatment ◽  
Histone Deacetylase 2 ◽  
Dynamics Simulations

The rational design of selective histone deacetylase 2 (HDAC2) inhibitors is beneficial for the therapeutic treatment of liver cancer, though HDAC2 is highly homologous to HDAC8, which may lead to...

Striped gold nanoparticles: New insights from molecular dynamics simulations

2016 ◽  
Vol 144 (24) ◽  
pp. 244710 ◽  
Author(s):  
Vasumathi Velachi ◽  
Debdip Bhandary ◽  
Jayant K. Singh ◽  
M. Natália D. S. Cordeiro
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations
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