Sentence examples for binding geometry of the from inspiring English sources

This "sharper" surface defines the possible binding geometry of the ligand more, than in the case of Gasteiger charges.

Although the exact binding geometry of the flavonoid triplex complexes cannot be specified, the results may be helpful for understanding the triplex-binding properties of flavonoids and give a clue to design of triplex-binding ligands.

This seems to be important in defining the binding geometry of the NO with respect to the heme plane (see Discussion).

In this work, we predict the HCII binding geometry of the high-affinity DS hexasaccharide D6 using the CVLS approach that we developed earlier.

Upon hybridization, the porphyrin anchors are located on the arms close to the hexagonal core, and structures with porphyrins on one (HexP1), two (HexP2), or on all three (HexP3) arms have been constructed to investigate the effect and binding geometry of the membrane-tethered DNA nanostructure.

Notably, this structure revealed the active-site geometry at the catalytic site containing 4c Co II Cbl species (the "closed" conformation), as well as the binding geometry of pentacoordinate (5c) Co II Cbl prior to enzyme activation (the "open" conformation).

The results also suggested some differences in binding geometry of SAM in LAM versus PFL-AE that could be important mechanistically.

The formation of double (dihapto) hydrogen bonds is a common binding geometry of COOH functional groups.

In essence, this analysis strongly supports a novel 60° to helix D binding geometry of D6 onto HCII.

The PLP binding geometries of CysM and CysK are very similar.

Although this is a major limitation in a docking protocol, the exhaustive search algorithm of docking programs has been successful in predicting correct binding geometries of known hits [48].