Sentence examples for molecular dynamics using from inspiring English sources

Furthermore, Baudin et al. discussed the structural energies and surface properties over different orientations of the CeO2 by molecular dynamics using NPT ensemble [10, 11, 12].

Molecular dynamics (using the AMBER 9.0 package) has been used to simulate the structural movements of the adrenoceptors due to the influence of the ligands [2].

Transport properties of PDMSM were successfully simulated by molecular dynamics using a very efficient united-atom force field.

Theoretical study of underlying mechanisms was performed through the simulations of molecular dynamics using the AMBER software package, with results showing that LIPUS increases cell permeability.

It has been previously demonstrated that molecular dynamics using PHS is an efficient method to study peptide structure and dynamics in aqueous solution.

Deformation of polyethylene terephthalate, PET, was simulated using atomistic molecular dynamics using a Parrinello Rahman constant-stress constant-temperature algorithm under periodic boundary conditions.

For each docking pose in the dock simulation, the protein-ligand complex has been simulated under dynamic conditions with classical molecular dynamics theory using Gromacs 4.5.5 [ 57].

Each system was subjected to molecular dynamics simulations using the NAMD package [31] and CHARMM force field.

Binding energies were calculated on the basis of molecular dynamics simulations using a realistic corrosive environment.

To investigate these systems, we conducted reactive molecular dynamics simulations using the ReaxFF forcefield.

Molecular dynamics simulations using empirical potentials reveal HOPG graphite's response to irradiations.