Molecular insight into the dynamical adsorption behavior of nanoscale water droplets on a heterogeneous surface

RSC Advances ◽  
2015 ◽  
Vol 5 (65) ◽  
pp. 52322-52329 ◽  
Author(s):  
Jun Zhang ◽  
Jie Zhong ◽  
Wen Li ◽  
Muhan Wang ◽  
Bing Liu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Adsorption Process ◽  
Hydrophobic Surface ◽  
Heterogeneous Surface ◽  
Adsorption Behavior ◽  
Water Droplets ◽  
Dynamics Simulations ◽  
Insight Into

A heterogeneous surface is constructed by adding one hydrophilic patch at the center of a hydrophobic surface, and the dynamical adsorption process of nanoscale water droplets is investigated adopting molecular dynamics simulations.

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

Atomistic Simulation of Volumetric Properties of Epoxy Networks: Effect of Monomer Length

Soft Matter ◽  
2021 ◽  
Author(s):  
Ketan S. Khare ◽  
Cameron F Abrams
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Atomistic Simulation ◽  
Volumetric Properties ◽  
Epoxy Networks ◽  
Design Requirements ◽  
Dynamics Simulations ◽  
Insight Into

Properties of epoxy thermosets can be varied broadly to suit design requirements by altering the chemistry of the component agents. Atomistically-detailed molecular dynamics simulations are well-suited for molecular insight into...

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