Sentence examples for experimental coordinates from inspiring English sources

A root square mean deviation value of 1.2 Å was calculated between the best pose and the experimental coordinates of ibuprofen.

In order to annotate putative functional residues, the comparative models were superposed to the original templates, including all ligands present in the experimental coordinates.

The RMSD values for each peptide was calculated relative to the first time step of the MD simulation, and also with reference to the experimental coordinates reported recently for the p53 glycopeptide bound to CpOGA.

The dictionary definition for every molecule contains both coordinates generated with idealized geometry and example experimental coordinates along with machine-readable chemical descriptors, such as SMILES strings (9), InChi (10) and InChi keys.

Dichrocalc [47] was used to calculate theoretical CD spectra from the experimental atomic coordinates.

This category not only includes atom name, element type, aromaticity flag, chirality and charge for every atom but also both the generated and example experimental 3D coordinates for the entire chemical entity.

RGS conceived of the study, participated in experimental design, coordinated the experimental plan, and wrote the draft manuscript.

JK participated in experimental design, coordinated the study and helped to draft the manuscript.

GM participated in the experimental design, coordinated, and oversaw the project.

MZ designed the experimental plan, coordinated the research and drafted the manuscript.

PWS participated in experimental design, coordinated the experiments, and improved the manuscript.