Sentence examples for binding conformation of the from inspiring English sources
The work is initiated to find the binding conformation of the therapeutically promising mucin epitope pentapeptides.
GOLD and FlexX were employed to dock the inhibitors into the active site of the p38 kinase and these docking studies revealed the vital interactions and binding conformation of the inhibitors.
The ChemPLP scoring function in the commercial docking software GOLD [35] is evaluated in the top-ranked list to reproduce the binding conformation of the ligand.
In studies by Wang et al. [33, 34] the "docking power" reported the comparison between 20 scoring functions in terms of the ability to reproduce the cocrystallized binding conformation of the ligand for a set of 195 different crystal structures from the Protein Data Bank (PDB).
The binding conformation of the lead molecules with the hydrogen bond interactions to the Hpx domain of MMP-13 are given in Figure 3.
Also we were able to predict the possible binding conformation of the activated form of Obg with L13, which is essential for the assembly with ribosome.
Docking studies were employed to determine the probable binding conformation of these analogues in the PDE5 active site using the programs GOLD and AutoDock whose results were found complementary with 3D-QSAR maps.
Docking studies of the representative compound revealed the binding conformation of these compounds and provided critical insights for the further development of PTTD analogues.
Docking studies were employed to determine probable binding conformation of these analogues into the gp41 active site using the AutoDock program whose results were found complementary with thus of 2D- and 3D-QSAR analysis.
To further explore the binding mechanisms of these new inhibitors, we determined the X-ray structures of the complexes of FABP4-9 and FABP4-10, which revealed similar binding conformations of the two compounds.
The genetic algorithm implemented in GOLDv3.2 was applied to calculate the possible binding conformations of the drug.
