Sentence examples for initial conformation from inspiring English sources

The Root Mean Square Deviation (RMSD) of Cα atoms with respect to the initial conformation was calculated as a function of time to assess the conformational stability of the protein during the simulations (Figure 2A).

The initial conformation of the inhibitors for docking was obtained from simulated annealing technique.

Here, we analyze by means of molecular dynamics simulations the structure of the p7 monomer as a function of its sequence, initial conformation and environment.

The pathways for refolding of RNA from stretched initial conformation, upon quenching fS to the quench force fQ, are highly heterogeneous.

Left: initial conformation.

Initial conformation bias in benchmark dataset molecules was removed by perturbing all dihedral angles to random values.

The well resolved X-ray crystal structures meant that we were confident of the initial conformation of the complexes.

To focus on localised structural deviations, we calculated the time-averaged RMSD for each residue, with respect to the main-chain atoms of the initial conformation.

Points: initial conformations.

The possible initial conformations were optimized at the generalized gradient approximation (GGA) level, with spin unrestricted approach, symmetric unrestriction, doublet multiplicity and BLYP/DND methods.

The possible initial conformations designed by five proposed models were optimized at the generalized gradient approximation (GGA) level, with BLYP/DND methods.