Sentence examples for binding modes of a from inspiring English sources
The binding modes of a number of known Yes1 inhibitors were predicted by molecular docking.
In the present study, the binding modes of a nonspecific lipid transfer protein (nsLTP2) from Oryza sativa with various nucleosides and analogous molecules were identified.
The binding modes of a series of known activity inhibitors docking to Peptide deformylase (PDF) have been studied using molecular docking software AutoDock3.0.5.
The binding modes of a known 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole, quinazoline, pyrimidine and indolinone series of Aurora A kinase inhibitors have been studied using molecular docking and molecular dynamics (MD) simulations.
With an extensive docking study allowing full ligand flexibility and full side chain flexibility of all residues in the ligand-binding cavity, we have predicted and analyzed the binding modes of a variety of structurally diverse mGluR5 NAM ligands, showing how the X-ray structures serve to effectively rationalize each ligand's binding characteristics.
In this work, the binding energies, inhibition constants and binding modes of a group of previously synthesized Piperine derivatives at the binding site of Survivin have been studied using molecular docking tools and the best compounds with minimum binding energies are proposed as potential drugs for the inhibition of Survivin.
A 2004 study found that DOCK, FlexX, and GOLD could reproduce the binding modes of an assorted set of protein-ligand complexes with reasonable accuracy (> = 70%) when the ligands had fewer than 8 rotatable bonds [17].
In this review, we summarize the common binding modes of Aurora-A kinase inhibitors, the hot spot residues in the binding sites and the privileged inhibitor structures.
Predicted binding mode of a new curcumin derivative in complex with 12-LOX active site.
Fig. 3 Predicted binding mode of A new curcumin derivative in complex with 12-LOX active site.
Raha and Merz used semi-empirical QM based scoring function for predicting binding energy and binding mode of a diverse set of protein-ligand complexes [22].
