Sentence examples for most binding conformations from inspiring English sources

In most binding conformations for 1a– 5b, the nitrogen atom of the triazine ring was found to be involved in hydrogen bond contact with Trp5.

The most favorable binding conformations served as the templates for pharmacophore modeling with Catalyst 4.11 and a virtually generated library have been screened for novel antagonist development.

In each ligand-receptor docking procedure, 20 different docking solutions were obtained and the most possible binding conformations of S9 with enzymes were determined based on the combination of experimental information and free energy scores.

The AutoDock program successfully reproduced the binding mode for GW409544, showing a root mean square deviation (RMSD) of one of the most stable binding conformations (pose #55) of 0.7 Å in comparison with the experimental geometry, and the same hydrogen bond patterns (Fig. 2A).

An analysis of these complexes revealed that most of the native binding conformations were highly exposed to the solvent.

Visual inspection for predicted binding conformations of most potent compounds 5l and 4i (IC50 = 17.2 ± 0.44 M and IC50 = 17.6 ± 0.23 M) revealed that both compounds can adopt conformation for a better fit into the binding groove of urease.

In several, most of the models exhibited Ca2+ binding conformations, while in others, only a few.

A phosphorylation site mutant of OmpR reveals different binding conformations at ompF and ompC.

These co-crystallized conformations of ligands were set as the initial binding conformations for LIE simulation.

Finally, 100 possible binding conformations were generated by AutoDock run.

By performing docking studies, the binding conformation and H-bond network of the most promising compounds 2a– c were predicted.