Sentence examples for docking structure from inspiring English sources
Until now, however, researchers hadn't identified a specific molecular receptor for irisin — in effect, a docking structure allowing irisin to bind to cells and tissues.
Recent studies consider the hit-rate enhancement of docking screens and the accuracy of docking structure predictions.
The docking structure of compound 43 with Src disclosed that the chlorobenzodioxole moiety and pyrrolidine ring of C-6 quinazoline appeared to fit tightly into the hydrophobic pocket of Src.
In the present work, we evaluate through different approaches (molecular docking, structure activity relationships, CYP51 inhibitory assay, and phenotypic screenings in vitro and in vivo) the potency and selectivity of a novel CYP51 inhibitor (compound 1) and its analogues against T.cruzi infection.
The X-ray structure of human CDK9/cyclinT1 in complex with flavopiridol (PDB CODE:3BLR) was taken as docking structure template.
To validate the dynamic stability of the complexes, total potential energy and the RMSD for the backbone atoms along the 10 ns MD trajectories using the initial minimized docking structure as a reference were monitored in Figure 1.
A biological application on seven docking structures leads to a pose in good agreement with known crystallographic structures.
There are some docking structures in the river off the southern part of the site, which were formerly used as a deepwater port for barges delivering fuel oil and other products.
Based on the models the structure features of NA and M2 proteins were analyzed, the docking structures of drug protein complexes were computed, and the residue mutations were annotated.
These results, together with an analysis of m36 gp120-CD4 docking structures, could have implications for the further development of m36 and elucidation of its mechanism of potent and broad HIV-1 neutralization.
These collections are often compiled from larger, more diverse libraries using either molecular docking (structure-based approach) or ligand fingerprint similarity (ligand-based approach).
