Sentence examples for modelled structure were from inspiring English sources

The solvent accessibilities of the amino acid residues in a 3D modelled structure were calculated using a modification of the Shrake and Rupley method, with a water molecule represented by a 1.4 Å radius sphere.

The stereochemical quality of the modelled structure was analysed using procheck [36].

The modelled structure was imported and corrections were carried out by Protein Preparation wizard of Schrodinger, where hydrogens were added automatically and refinement of the structure was done.

As expected, the modelled structure is roughly similar than the template, with the six helices typical of the OBP family in equivalent positions and with a similar predicted folding.

Models with the highest C-scores and conformation similarities to other modelled structures were used for further analysis.

Binding sites in the modelled structures were analysed for the occurrence of nearby insertions/deletions.

The energies of the modelled structures were initially minimized in vacuum using GROMACS with an AMBER force field (http://ambermd.org/) on a CPU cluster of the National Grid Service NGSS).

But because the dimer and trimer structures were modelled, native oligomeric structure were needed to furtherly verify the conclusion.

The epistasis scan was limited to a small set of genes and it was feasible to run the full linear mixed model, therefore twin structure was modelled simultaneously with SNP effects to maximise power.

Initially, a numerical continuum-discrete approach for computing the sensitivity of the acoustic wave characteristics propagating within the modelled periodic composite structure is exhibited.

The tool is also made available as a web-server (http://vishgraph.mbu.iisc.ernet.in/GraProStr/native_non_native_ranking.html), where, 5 modelled structures can be evaluated at a given time.