Sentence examples for using a force field from inspiring English sources

Adsorption of surfactants at interfaces is modelled using a force field approach.

Polymer reference interaction site model (PRISM) calculations and molecular dynamics (MD) simulations were carried out on poly ethylene oxide) liquids using a force field of Smith, Jaffe, and Yoon.

The Flyers are the latest to fall into the 0-2 pit, and even though they were in an even deeper pit last year against the Bruins at 0-3, Thomas was not using a force field while protecting the Bruins' net last year.

Such conformations can be energetically unstable or "strained" if their potential energies are evaluated in the absence of proteins using a force field that is different from the one used by the NMA.

To optimize the resulting interactions, energy minimization calculations were performed using CNS 1.2 [ 14] on a Linux workstation using a force field with explicit hydrogens, corresponding to the files protein-allhdg.top and protein-allhdg.param.

Rustad et al. [8] used a force field that allowed for the dissociation of H2O, in order to perform classical molecular dynamics (MD) simulations of the (110) α-FeOOH-H2O interface.

Tascon and Bottani used a force field with 27.5 meV binding energy at 3.88 Å [24].

This mesh is then deformed using a force-field that gradually shrinks to the generated shape's outer boundary and pushing on vertices that it touches on the way.

AutoDock 4.0 uses a force-field based empirical free energy scoring function [5].

Thus, comparing the computed potential energy of one molecule using a particular force field with the potential energy of another molecule, which is calculated by another force field, is neither rational nor possible.

Methane and nitrogen molecules were modelled using a TraPPE force field (Martin and Siepmann 1998; Potoff and Siepmann 2001), the water molecule was modelled using an SPC-E force field (Berendsen et al. 1987), and the carbon dioxide molecule was simulated by using the EPM2 model (Harris and Yung 1995).