Sentence examples for the three docking from inspiring English sources

Similarly, all the three docking algorithms showed Tyr235, Thr265, Pro268, Glu317, Ser337 and Cys364 residues (within 3.0 Å) in the pocket of the TPH surrounding bacoside A3.

Further, our analysis showed that all the three docking algorithms identified similar residues (Tyr235, Thr265, Pro268, His272, Glu317, Phe318, Ser337, Glu340, Ile 366) surrounding (within 3.0 Å) bacoside A as best hit and interacts with different residues of TPH.

Among them all the three docking algorithm identified different residues Thr265 (1.91 Å) (Fig. 2a), Tyr235 (2.96 Å) (Fig. 2b) and Glu317 (2.48 Å) (Fig. 2c) interacting with bacoside A3 through hydrogen bond.

Additional file 1: Figure S5 shows the separation of the medians for the three docking models, − 6.93 (actives) versus − 5.64 (inactives) for the PDE10A docking model, − 7.66 (actives) versus − 6.01 (inactives) for the A2AR docking model, and − 7.60 (actives) versus − 5.66 (inactives) for the A1R docking model.

In Figures 4b, c and 5 7 the clusters and the finally selected docking modes for 11-cis- and all-trans-retinal are shown at the three docking sites with the contacting residues of the receptor (distance cut-off: 5 Å).

The coordinates indicating the corners of the three docking boxes 1, 2, and 3 are included as Additional file 2: Data file S2; Additional file 3: Data file S3 and Additional file 4: Data file S4, respectively.

The three docks were once the largest in the port of London.

The obtained mol2 files, with the correct atom types, were used for the four docking programs.

Fig. 1 Correlation between the VS results of the four docking programs for Cn.

The two docking algorithms, Ligandfit and GOLD were utilized and compared.

The results for the seven docking programs in comparison were extracted from Plewczynski et al.'s study [31].