Sentence examples for dynamics trajectory from inspiring English sources

The simulations are carried out using a potential model designed to allow the protonation states of the surface functional groups to evolve dynamically through the molecular dynamics trajectory.

From dynamical analyses of the molecular dynamics trajectory of the dimer at 300 K, we observe that the linker domains represent soft, hinge-like structures that connect much stiffer coiled-coil segments (see Movie S1).

To show its utility, we use Scoria to analyze a molecular dynamics trajectory.

The calculation of radial distribution functions (RDFs) from molecular dynamics trajectory data is a common and computationally expensive analysis task.

This paper investigates the nonlinear translational dynamics, trajectory planning and control of formation reconfiguration actuated by inter-satellite electromagnetic forces.

The two conformational states are in good agreement with frames observed along a molecular dynamics trajectory describing the transition from closed to open situation.

The equilibrium dynamics trajectories and energy values are recorded for every 2 and 0.2 ps, respectively.

Twenty-four molecular dynamics trajectories of chymotrypsin inhibitor 2 provide a direct demonstration of the diversity of unfolding pathways.

Additionally, one-dimensional position-dependent diffusion coefficients are calculated from the molecular dynamics trajectories.

Eucb is a standalone program for geometrical analysis of molecular dynamics trajectories of protein systems.

SHAKE is a widely used approach to compute molecular dynamics trajectories with constraints.