Sentence examples for molecular simulation procedures from inspiring English sources
The storage of hydrogen inside carbon nanotubes (CNTs) [11, 12, 13], boron nitride nanotubes (BNNTs) and their arrays [14, 15, 16, 17] and silicon carbide nanotubes (SiCNTs) [18, 19], most of which use molecular simulation procedures, has been of special interest.
Infrared optical properties of amorphous polymers, polymethylmethacrylate and polychlorotrifluoroethylene, are predicted following a procedure based on molecular simulation and Kramers Kronig relations.
The multi-purpose simulation code of the molecular simulation package was used for all simulations [28].
Molecular simulation represents a complementary approach.
This modified PR reproduces experimental and molecular simulation results satisfactorily.
Our simulation procedures occurred in two steps.
Molecular dynamics simulations of the pentameric protein were performed using the GROMOS11 molecular simulation package.
We have run five simulation models following the simulation procedures described in Materials and Methods.
Details of the simulation procedures used within this simulation study are provided below.
The robustness of molecular simulation results is difficult to assess.
The simulation procedures described below are similar to the procedures described in Doll et al. (2014).
