Sentence examples for effect of conformation from inspiring English sources

Three structural alignment methods employing various conformers were used to scrutinize the effect of conformation selection on the predictive accuracy of QSAR models.

We performed density functional theory (DFT) and time dependent-DFT (TD-DFT) calculations on indoline dye D149 to elucidate the influence and/or effect of conformation of flexible organic dyes on the light absorption spectra.

Single crystal structures of five coordination polymers namely 1a, 2 4b and the free ligand L1 are discussed in the context of the effect of conformation dependent ligating topology of the ligands, hydrogen bonding backbone, counter anions on the resultant supramolecular structures observed in these coordination polymers.

By introducing a simple statistical-mechanics approach, we study the effect of conformation and flexibility on the quality of recognition processes.

There we also clarify that we do not exclude a direct effect of conformation on effector engagement.

In the paragraph "The effect of conformation changes on BA prediction's accuracy" the authors refers again to other models to indicate their method as preferred for being less sensitive to conformational changes, without reporting a comparison of the results obtained by that models for the two subsets of rigid and flexible complexes.

The effect of conformations was investigated building model 1 and 2 based on ensemble of conformers and single conformer, respectively.

Moreover, the emission color of the crystalline solid of TPE-NC-Au changes from blue (454 nm) to green (500 nm) in response to mechanical grinding, due to the combined effects of conformation planarization, enhanced π⋯π stacking, as well as the emergence of aurophilic interactions in the ground amorphous state.

In the present work, we discuss the latter possibility by evaluating the effects of conformation and flexibility on recognition.

The chapter gives details of crystal structures of collagen peptides and the effects on conformation of the precise sequence of the distinct constituent triplets.

To study the effect of solution conformation and flexibility a computational conformation analysis was performed from which low energy conformations in solution were calculated, and Sconf estimated.