Sentence examples for mode of docking from inspiring English sources

To check the enrichment of the structure based approaches such as docking, we also tested the compounds with Glide XP mode of docking.

Excellent pieces of literature [ 44, 45] are available describing the relevance of various mode, of docking using Glide and thus are not discussed in detail here.

The obtained molecules from SP mode of docking (part of virtual screening protocol) were used for comparative docking analysis using FlexX and GOLD.

The final top 10% hits from SP docking were subjected to extra precision (XP) mode of docking which were analyzed later.

Assuming a single mode of docking as shown in Figure 1C, catalytic residues like Y47 and H49, which do not make sequence specific contacts, would be expected to affect both basal activity and specific cleavage.

The resultant hits were filtered by standard precision (SP) and extra precision (XP) modes of docking using Glide, Schrödinger which yielded five hits.

The two modes of docking with differential activity create a kinetic discrimination mechanism to ensure that the SRL is cleaved faster than non-SRL substrates.

Presumably, they cluster because the similarity of their structures (both are fusions of six and five membered rings) means that they have similar modes of docking in the substrate binding pocket.

These substrate-dependent contributions of active site residues to catalysis likely reflect different modes of docking for cognate and noncognate substrates (Tables 1 and 2 and Figures 3 and 4).

Here, our kinetic analysis provides insight into the molecular basis of the linkage between the mode of substrate docking and catalysis with different substrates engaging active site residues Y47 and H49 to different degrees.

To obtain an accurate binding mode and affinity data, docking was conducted in the Geom mode of Surfelx-Dock.