Sentence examples for dock table from inspiring English sources

Docking score and atomic contact energy (ACE) of the native and mutant complexes were calculated using Patch Dock (Table 4).

The docking study reveals that Hcys binds to the same pocket to which HCTL and PA dock (Table 2).

This filtering step yields 730 drugs most compatible with virtual docking (Table S7).

The performance of FlexPepDock ab-initio is summarized in Table 1 (bound docking), Table 2 (unbound docking) and Fig. 2, and specific examples are presented in Fig. 3.

All the VB1OE models emerging from the docking (Table 2) were further investigated by MD simulations to the aim of better evaluating the enhancement of interface ASA in the selected model #33OE.

For example, in D2VSY6 (fig. 7 D), the interruption to the helical structure within the cap-helix section is hindering docking (table 2 and fig. 7).

On the basis of our previously published data, and the radioligand (Table 2) and docking (Table 1) results presented here, we can infer that each mecamylamine enantiomer does not directly bind to the imipramine luminal site, located in the middle of the hα4β2 AChR ion channel.

To test whether the computed inter-protein ECs are sufficient for obtaining accurate 3D structures of the whole complex, we selected 15 diverse examples (with 5 or more inter-protein residue contacts) for docking (Table 1, Figure 3, Figure 3 figure supplement 1, Supplementary file 3) with HADDOCK (Dominguez et al., 2003; de Vries et al., 2007).

Supplementary data The ligands used in the flexible docking study table S1), the residue selection for side chain flexible docking (tables S2 S4) and experimental protocols for preparation of compounds studied by co-crystallography and associated crystallographic analysis.

The top three TCM compounds can be selected from the database according to the rank of the result of molecular docking by docking score (Table 1).

The analytic result of binding sites was compatible with the trend in dock score (Table 1).