Sentence examples for based on docking results from inspiring English sources

Nevertheless, the method was able to confirm the choice of one of the two universal inhibitors and was able to select the most specific human 17β-HSD 1 inhibitor based on docking results on human 17β-HSD homologs, despite generally quite low correlation between the docking scores and observed inhibition.

Here, we hypothesized (based on docking results) that HHQ can modulate the expression of PGK1 and PKM2 via PPARγ dependent pathway.

Synthetic analogues of viriditoxin, designed based on docking simulation results to FtsZ of Staphylococcus aureus, were prepared and compared with viriditoxin for antibacterial activity.

These residues were chosen either based on docking or Scanprosite results (http://prosite.expasy.org/scanprosite ).org/scanprosite

Subsequent optimization of b2 based on docking analysis and structure-based drug design knowledge resulted in d1.

Inhibitory studies were performed and the activity results obtained against both COXs isoforms were rationalized based on docking and NMR studies.

Based on docking and database alignment rules, two computational models were established to compare their statistical results.

This result indicates that the important amino acids are not disorder regions; thus, the complex selected based on docking could have an influence on CXCR4.

The design was based on docking with mTOR protein.

All compounds were then viewed as docked on the receptor and manual selection was based on docking position to maximize diversity of docking locations on the EGFR dimer.

This is a limitation of classifying compounds based on docking scores.