scholarly journals Towards Controlled Single-Molecule Manipulation Using “Real-Time” Molecular Dynamics Simulation: A GPU Implementation

Micromachines ◽  
2018 ◽  
Vol 9 (6) ◽  
pp. 270 ◽  
Author(s):  
Dyon van Vreumingen ◽  
Sumit Tewari ◽  
Fons Verbeek ◽  
Jan van Ruitenbeek
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Real Time ◽  
Single Molecule ◽  
Dynamics Simulation ◽  
Gpu Implementation ◽  
Single Molecule Manipulation

scholarly journals Molecular Dynamics Simulation of Dextran Extension by Constant Force in Single Molecule AFM

2006 ◽  
Vol 91 (10) ◽  
pp. 3579-3588 ◽  
Author(s):  
Igor M. Neelov ◽  
David B. Adolf ◽  
Tom C.B. McLeish ◽  
Emanuele Paci
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Molecule ◽  
Dynamics Simulation ◽  
Constant Force

Molecular Dynamics Simulation of Adsorption Process of Anti-Corrosion Additives on Copper and Oxidized Copper Surfaces

2018 ◽  
Author(s):  
Kohei Nishikawa ◽  
Hirotoshi Akiyama ◽  
Kazuhiro Yagishita ◽  
Hitoshi Washizu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Real Time ◽  
Metal Surface ◽  
Adsorption Process ◽  
Molecular Level ◽  
Dynamics Simulation ◽  
Copper Corrosion ◽  
Copper Surfaces ◽  
Level 2

Newly formed metal surface is often unstable and becomes stable when it is terminated with another molecule, but the original color and properties may be diminished when it is covered with oxygen or gasses in atmosphere. Anti-copper-corrosion additives adsorb onto the surface of copper and it is used in order to prevent this phenomena and save copper’s color and properties [1]. There are few molecule findings about anti-copper-corrosion additive, however, and the mechanism of adsorbtion onto the surface of cupper and prevent corrosion. Recently, real-time instrumentation technique using Otto-SPR was proposed, and it is becoming possible to observe how additives adsorb onto the surface in molecular level [2].

Interaction of vascular endothelial growth factor and heparin quantified by single molecule force spectroscopy

Nanoscale ◽  
2020 ◽  
Vol 12 (22) ◽  
pp. 11927-11935
Author(s):  
Miaomiao Zhang ◽  
Ying Liu ◽  
Fengchao Cui ◽  
Christian Rankl ◽  
Juan Qin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Vascular Endothelial Growth Factor ◽  
Molecular Dynamics Simulation ◽  
Growth Factor ◽  
Single Molecule ◽  
Force Spectroscopy ◽  
Dynamics Simulation ◽  
Vascular Endothelial ◽  
Single Molecule Force Spectroscopy ◽  
Endothelial Growth Factor

The interaction of VEGF165 and heparin was studied quantitatively and visually utilizing single molecule force spectroscopy and molecular dynamics simulation.

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