Evaluation of effect of functionalized gold nanoparticles with a partial negative charge on stability of DNA molecule: a study of molecular dynamics simulation

2018 ◽  
Vol 29 (5) ◽  
pp. 1417-1425 ◽  
Author(s):  
C. Izanloo
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Negative Charge ◽  
Dynamics Simulation ◽  
Dna Molecule ◽  
Functionalized Gold Nanoparticles ◽  
Partial Negative Charge

Determination of Binding Energy and Solubility Parameters for Functionalized Gold Nanoparticles by Molecular Dynamics Simulation

Langmuir ◽  
2011 ◽  
Vol 27 (12) ◽  
pp. 7836-7842 ◽  
Author(s):  
Brian J. Henz ◽  
Peter W. Chung ◽  
Jan W. Andzelm ◽  
Tanya L. Chantawansri ◽  
Joseph L. Lenhart ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Binding Energy ◽  
Dynamics Simulation ◽  
Solubility Parameters ◽  
Functionalized Gold Nanoparticles

Theoretical Study of Alkanedithiolated Gold Clusters

2012 ◽  
Vol 1371 ◽  
Author(s):  
J. M. Cabrera-Trujillo ◽  
R. Jiménez-Cataño
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Room Temperature ◽  
Theoretical Study ◽  
Gold Cluster ◽  
Gold Clusters ◽  
Dynamics Simulation ◽  
Temperature Structure ◽  
Reactive Molecular Dynamics

ABSTRACTA reactive molecular dynamics simulation study on the structure, energetics, and chemistry of alkanethiolated gold cluster is presented. Through very recent reactive molecular dynamics force-fields developed by Järvi et al. [1], chemical reactions of alkanedithiolates and star-like shape gold nanoparticles are studied throughout octanedithiolates and stellated cuboctahedral gold clusters models [2] at room temperature. Structure, energetics, reactants, and some products of the reactions are preliminarily analyzed up to 25 ps. In general, preliminary results of this work are in agreement with those reported in the review by Love et al. [3].

scholarly journals Molecular dynamics simulation of peeling a DNA molecule on substrate

2005 ◽  
Vol 21 (3) ◽  
pp. 249-256 ◽  
Author(s):  
Xinghua Shi ◽  
Yong Kong ◽  
Yapu Zhao ◽  
Huajian Gao
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Dna Molecule

Abnormal change of melting points of gold nanoparticles confined between two-layer graphene nanosheets

RSC Advances ◽  
2016 ◽  
Vol 6 (110) ◽  
pp. 108343-108346 ◽  
Author(s):  
Gang Wang ◽  
Nanhua Wu ◽  
Jinjian Wang ◽  
Jingling Shao ◽  
Xiaolei Zhu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Melting Temperature ◽  
Graphene Nanosheets ◽  
Dynamics Simulation ◽  
Nanoparticle Size ◽  
Melting Points ◽  
Layer Graphene ◽  
Reasonable Explanation

A molecular dynamics simulation demonstrated that the melting temperature of gold nanoparticles confined in two-layer graphene nanosheets was indicated to decrease with nanoparticle size and a reasonable explanation is provided.

Effect of surface coverage and chemistry on self-assembly of monolayer protected gold nanoparticles: a molecular dynamics simulation study

2018 ◽  
Vol 20 (40) ◽  
pp. 25883-25891 ◽  
Author(s):  
Dwadasi Balarama Sridhar ◽  
Rakesh Gupta ◽  
Beena Rai
Keyword(s):  
Molecular Dynamics ◽  
Gold Nanoparticles ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Self Assembly ◽  
Surface Coverage ◽  
Dynamics Simulation ◽  
Effect Of Surface

The PMF between two nanoparticles (of any chemistry and coverage) can be used as a measure to predict their stability.

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