The 3D coordinates of each compound were generated using CORINA, saved in SDF format.
For ChEBI compound features, the details for the associated compound are generated, and the value of the feature is highlighted.
Diverse conformational models for each compound were generated such that the conformers covered accessible conformational space defined within 20 kcal/mol of the estimated global minimum.
Glycerol, a readily available and inexpensive compound, is generated during biodiesel, oleochemical, and bioethanol production processes, making its conversion into value-added products of great interest.
Even under static conditions, the chemical reaction does not stop and more and more tribo-chemical compound is generated, leading to the formation of more compact and efficient tribo-chemical film on the worn surface (Fig. 10c).
Throughout the loop, various routes for the production of target compound were generated.
The results suggest that during the oxidation, the methemoglobin peroxide compound is generated and converts nitrite into nitrogen dioxide by its peroxidatic activity.
Calibration curves of each compound were generated by Thermofisher Scientific Dionex Chromeleon 7.2 chromatography data system software (Thermofisher Scientific, Hemel Hempstead, UK) using known amounts of the relevant standard.
Calibration curves of each compound were generated by Dionex Chromeleon 7.2 chromatography data system software (Thermofisher, Hemel Hempstead, UK) using known amounts of the corresponding chemical standard (obtained from Sigma Aldrich, United Kingdom and Roche, Basel, Switzerland).
The volume of BACE1 inhibitor (1M7) in crystal structure of BACE1 was defined as binding site for screening TCM compounds through protein-ligand interaction; different poses of TCM compound were generated by Monte-Carlo techniques; docking study was performed by LigandFit module within DS 2.5.
