Sentence examples for pose was found from inspiring English sources

For three targets, hdac8, hs90a and igf1r, the correct top-rank pose was found after docking but not after rescoring.

VMD software [45] was used for molecular visualization For three targets, hdac8, hs90a and igf1r, the correct top-rank pose was found after docking but not after rescoring.

Finally, nine complexes were scrutinized, because a correct pose was found by at least one program but poorly ranked by all four programs.

A significant main effect for pose was found across all of the JMOFs examined, suggesting significantly different musculoskeletal demands among the top 4 5 ranked poses.

In the present study, no pose was found that was similar to those predicted in either the p110α apo structure or p110γ PIK93 structure, and an interaction with the backbone amide of the p110α Val equivalent, Val, was not observed.

Although Gli1 is characterized by a scarce druggability, mostly due to a rather flat surface, a high flexibility and the lack of deep lipophilic pockets, a significant cluster of top-ranking poses was found in a surface groove between ZF4 and ZF5 (Fig 3A, Supplementary Fig S12).

Plausible global poses are found out by matching signatures of observed features with signatures of global map features.

A maximum of 20 docking poses for each model was requested and 19 poses were found for each of the two models.

However, all these observations do not exclude that, for some cases, it may happen that the performance of VS is improved when good poses are found by docking [33].

When analyzing the 100 docking runs for each compound, it was noted that the majority of poses were found in a similar orientation as indicted in Fig. 2 for the most active compound (8).

The CoMFA and CoMSIA contour maps, MOLCAD-generated surface maps of binding site and docking poses were found complimentary with each other in terms of electrostatic, lipophilicity, and hydrogen-bonding potential.