Sentence examples for binding mode as the from inspiring English sources

Virtual screening was carried out through docking the designed compounds into the ATP binding site of epidermal growth factor receptor (EGFR) to predict if these compounds have similar binding mode as the EGFR inhibitors.

According to docking studies cis-4a adopts the same binding mode as the cocrystallized ligand ifenprodil-keto 1A and 5 at the interface of the GluN2B and GluN1a subunits.

The docking results indicate that pyridinone analogues adopt a butterfly conformation and share the same binding mode as the crystal inhibitors in the pocket geometries of nevirapine, 1051U91, 9-Cl-TIBO, Cl-α-APA, efavirenz, UC-781, and S-1153.

Molecular modeling of the titin peptide on GH680 failed to demonstrate the same binding mode as the IQ-tag peptide, intimating the importance of the serine and two terminal phenylalanine residues.

Consequently, a potential ligand needs a hydrophobic substructure that occupies this pocket assuming the same binding mode as the query.

Although the crystal structure of WT protease with the P1 P3 ASV macrocyclic analogue revealed a similar binding mode as the WT-ASV complex, several differences were observed.

A crystal structure of the most potent compound with thrombin was obtained and revealed an unexpected binding mode as well as the key interactions of the fragment with the protein.

In addition, potent inhibitors were selected based on two criteria: a similar binding mode as that of the active site PB3 crystal ligand and crucial amino acid interactions that are catalytically important for the function of MMP-13.

In this study, we search for tubulin inhibitors having a similar binding mode as that of colchicine at the α-β interfacial site.

With HTHi there are two binding modes as well, one with a low dissociation constant in the nanomolar range ( Kd1 = 50 nM) and the other with a high dissociation constant in the micromolar range ( Kd2 = 1.9 µM ), in the case of LTR34fm; and there is only one binding mode in the micromolecular range (Kd = 2.9 µM ) in the case of LTR34f5' (Fig. 4a).

Vina does not provide a cluster analysis, but its authors have demonstrated superior performance over AD4 in reproducing experimentally observed binding modes as the number of rotatable bonds grows [8].