Sentence examples similar to computational docking analyses from inspiring English sources

In order to design novel non-peptidic inhibitors of BACE1, many research groups have attempted using computational studies including docking analyses.

We further identified the key residues within PXR's ligand-binding pocket interacting with BPA by combining analyses of computational docking and site-directed mutagenesis.

The variety of Smac peptides was filtered by computational docking.

Thus, computational docking alone misses important prospective drug design leads.

Computational docking studies showed that the most active hybrids dock well within the binding site of HGPRT protein.

Computational docking calculations were done using GLIDE in standard precision (SP) mode [66] for flexible docking.

For this reason, we performed computational docking analysis of OT molecules in OTR binding sites.

Computational docking studies were performed with GOLD 4.1 (The Cambridge Crystallographic Data Centre [24], [25]).

Computational docking studies.

Computational docking and modeling studies.

The anticipated analogy of these four compounds was evaluated by a computational docking study with the flexible docking program Fleksy.