Sentence examples for in a docking mode from inspiring English sources

Here we present the 2.8 angstrom crystal structure of a complex between human IL-2 and IL-2Ralpha, which interact in a docking mode distinct from that of other cytokine receptor complexes.

GOLD was utilised to predict a docking mode for both 2-BFI and BU99006, in their protonated form, in the site encompassing Cys283 defined by MOE.

The MEL5 TCR bound in a canonical diagonal docking mode at a crossing angle of ∼47°, with shape complementarity and buried surface area within the range described for other published TCR-pMHC interactions (Table 2) [ 18, 29].

This is the region that is contacted more by the TCR complementary-determining region 1α (CDR1α loop and also the CDR3α loop in a common pMHC/TCR docking mode that was first identified in 1998 (Teng et al., 1998).

Previously it has been shown that methionine 82 plays an important role as gatekeeper residue in the docking mode of isoxazoles to the ATP binding pocket since mutation of methionine 82 to phenylalanine blocks binding of this class of CK1δ specific inhibitors (Peifer et al. 2009) while still binding ATP.

16 In our docking mode, oseltamivir is the strongest ligand of those studied (Table 1), with the lowest docking energy of −13.94 kcal/mol.

X-ray structures of FimH co-crystallized with two different ligands, the physiological binding epitope oligomannose-3 and the antagonist biphenyl α-d-mannoside 4a revealed different binding modes, an in-docking-mode and an out-docking-mode, respectively.

The docking results indicate that TPT has a major docking mode that repeated for 47 of 100 runs (47% probability).

In that case, the docking mode with the highest score from the next cluster was taken.

To accomplish the in-docking-mode, that is the docking mode where the ligand is hosted by the so-called tyrosine gate, FimH antagonists with increased flexibility were designed and synthesized.

Open image in new window Fig. 4 The structure optimization scheme and the docking mode in the active site for the newly designed and synthesized compounds.