Sentence examples for constrained simulations from inspiring English sources

From the constrained simulations, the computed mean force between two carbon nanotubes in water exhibits a maximum at a tube spacing of 5.0 Å which corresponds to approximately one unstable layer of interstitial water molecules.

In this paper a rational approach to quantify the variability of the gust loading of a wind turbine is presented and a new approach on the simulation of the extreme gusts with constrained simulations is proposed.

For the constrained simulations, we used the 100 highest ranking contact predictions.

The probabilistic method relies on the quick determination of the response to a single gust, with a given amplitude, by means of the so-called constrained simulation.

A spring constant of 0.2 kcal mol−1Å−2 was used for the virtual spring in the distance constrained simulation.

A model of MscL in the open state was obtained at the end of the distance constrained simulation, when the simulation satisfied all the distance constraints measured by means of smFRET experiment.

Both secondary structure restraints (Trabuco et al., 2009) and symmetry restraints (Chan et al., 2011) were applied to prevent structural distortion under large force in the distance constrained simulation.

In practice, two sets of simulations are required to perform the parametrisation: a short Langevin simulation in implicit solvent to extract the ∂ A i /∂ r i values and a long conformationally constrained simulation in explicit water to obtain the solvation forces, both using identical starting conformations to ensure correct projection geometry.

The model uses assimilation to constrain simulations to observed temperatures and salinities, which were derived principally from the World Ocean Atlas [27].

Here, we attempted to make few assumptions about the mode of CWD transmission and rather constrained our simulations to fit the first 10 years of observed epidemics in Colorado, Wyoming and Wisconsin.

Constrained geometric simulations support the view that mutations introduced in the portal region are associated with global changes in protein mobility and receptor conformation.