Sentence examples for calculating structures from inspiring English sources

First we demonstrated that SAXS constraints work additively to NMR-derived information in calculating structures.

Figure 1 Schematics of the calculated structures.

Both calculated structures differ geometrically in the plane plane dihedral angels, affording the three planes C14 C15 C16 C17 C18 C19, S1 C1 C2 C3 C4, and C5 C6 C7 C8 C9 C10.

We compare simulated high-resolution transmission electron microscope (HRTEM) images of the lowest energy calculated structures with experimental images.

We are able to calculate structures of the early folding intermediate of the model system barstar that are fully consistent with FPOP data and Φ values.

More specifically, we calculate structures and relative energies of reactant, products, intermediate and transition states involved in all the three suggested pathways (cis-trans isomerization, rearrangement, fragmentation).

The CNS program [55] with the ARIA module [56] was adopted to assign NOE peaks and to calculate structures.

The hydrogen bond acceptors for the slowly exchanged amide protons were identified by analyzing the preliminarily calculated structures.

The comparison between the calculated structures of model radical anion [ 25].− and [ 2].− indicates also for the latter the onset of the separation between the anion and the radical.

The calculated structures all show the metal sulfur ring in a chair conformation, though given that this is determined only indirectly by the NMR measurements and force field, it should not be taken as definitive.

Good agreement between measured and calculated structure of lean and near-stoichiometric flames was found.