Sentence examples for use of molecular dynamics from inspiring English sources

This letter reports our findings on the vibration-induced property change in the melting and solidifying process of silver nanoparticles with the use of molecular dynamics simulation.

Landman et al. [4] pioneered the use of molecular dynamics (MD) simulations to follow the variation of the minimum cross section during the process of stretching a nanocontact.

As mentioned, we make use of molecular dynamics simulations and DFT calculations of conductance to understand these experimental measurements and observations.

Here we investigated the use of molecular dynamics (MD) simulations to determine phase system properties of polyethylenglycol (PEG phosphate systems that guide protein distribution.

Thermodynamics of hydration of the C60 fullerene in normal and supercritical conditions is studied through the use of molecular dynamics simulations.

The use of molecular dynamics simulations and stability predictions indicated less thermodynamically stable protein structures containing E264K and V231G, while the N245I change showed a stabilizing effect.

Briefly, Nedd4-2 WW-domains alone, the SGK peptide and their respective complexes were independently modelled using the Amber94 forcefield, using cycles of molecular dynamics and minimization to determine global minimum energy structures.

The lack of experimental approaches to study HA crystal growth can be to some extent remedied by the use of molecular-dynamics simulations [32].

Here we use a suite of molecular dynamics simulations to relate structural features of the MOF-5 framework to its thermal transport properties.

We demonstrated the functioning of the nanocapsule of complex structural shape for methane storage using the method of molecular dynamics.

The momentum exchange between dispersed particles and clusters is modeled using the concept of molecular dynamics.