Sentence examples for by using classical molecular from inspiring English sources

We investigate the thermal transport properties of armchair graphene nanoribbons (AGNRs) possessing various sizes of triangular vacancy defect within a temperature range of 200 600 K by using classical molecular dynamics simulation.

The geometry of the side chain of the occupying amino acids was relaxed using classical molecular mechanics AMBER95 [25], followed by an optimization using the semi-empirical method AM1 [26].

The silogen containing models of crack propagation in silicon work by describing the crack itself using quantum mechanics and the region immediately surrounding the crack using classical molecular dynamics.

The same systems were also studied using classical molecular dynamics (MD) simulations.

Only qualitative alterations were found with a sensitivity similar to that obtained using classical molecular techniques for screening punctual mutations.

Gromacs 4.5.5 [ 34] is a program used to perform the molecular dynamics (MD) simulation using classical molecular dynamics theory.

All constructs were made using classical molecular biology techniques, as described in [ 9].

These novel conformations can then be further studied using classical molecular dynamics or other techniques.

Gromacs [ 44] was employed to simulate each protein-ligand complex under dynamic conditions using classical molecular dynamics theory.

Gromacs 4.5.5 [ 42] was employed for the molecular dynamics (MD) simulation using classical molecular dynamics theory, which simulates each protein-ligand complex under dynamic conditions.

The molecular dynamics (MD) simulation utilizing Gromacs 4.5.5 [ 50] was employed using classical molecular dynamics theory to simulate each protein-ligand complex under dynamic conditions.