Sentence examples for mode for compound from inspiring English sources

Interestingly, the hypothesized binding mode for compound 20 (Figure 8d) is different from the other inhibitors; the molecule interacts with HBP3 and HBP3' simultaneously, through the carboxylic moiety and the aminoxymethyl chain, respectively.

A potential binding mode for compound 1 in the homology model of TbGSK3 was generated using Moloc (Gerber Molecular Design, Switzerland; Figure 6).

Generation of putative binding modes: An initial binding mode for compound 1 was generated by manually docking the ligand into the ATP binding pocket of the TbGSK3 homology model with the requirement to establish hydrogen bonds to the hinge residues using Moloc.

We reasoned firstly, that use of a ligand-induced protein conformation in a subsequent rigid docking protocol should deliver a similar binding mode for compounds similar to the docked ligand; and secondly that the binding mode of a ligand obtained using flexible docking should be reproduced by rigid docking into the protein conformation induced by that ligand.

Molecular docking studies were carried out using AutoDock program [ 32] to get the favorable binding modes for compounds within the active site of porcine pancreatic α-amylase.

There are a number of basic modes for compounds to move across brain barrier membranes [ 5, 49, 50]: Simple diffusion is a passive process driven by the concentration gradient, from high to low concentrations.

During the HPLC/HRMS analysis, several of these samples yielded abundant and chromatographically resolved peaks in both positive-ion electrospray and APCI modes for compounds having mass spectra (e.g., accurate mass and isotope structure) suggestive of a chlorinated organophosphate compound containing two phosphate groups and six chlorine atoms.

The putative binding mode for each compound was proposed.

A proposed protein ligand binding mode for this compound is also provided to rationalise the high levels of potency and selectivity over inhibition of related sodium channels.

This decreasing trend of natural frequency for smaller values of g is more pronounced, for example, by increasing the value of g from 1 to 3 (approximately 200%), the frequency of the first mode for the compound plate decreases by 1.32% but by increasing g from 3 to 9 (approximately 200%) of the same plate and for the same mode, the frequency decreases by 0.71%.

After selecting the appropriate ion detection mode for each compound, the cone voltage settings were adjusted to maximise signal detection.