Sentence examples for molecular modeling predicted from inspiring English sources
In silico molecular modeling predicted the structure of Tn-AFP1 as a single coil attached by a unique disulfide bond.
Molecular modeling predicted the binding of pentamidine to the transmembrane pore region of Kir4.1 at aminoacids T127, T128 and E158.
Functionalized congeners containing terminal 2-acylaminoethylamides prepared by this strategy retained P2Y14 activity, and molecular modeling predicted close proximity of this chain to the second extracellular loop of the receptor.
Molecular modeling predicted the unsaturated sulfone 7 was thermodynamically more stable than the higher conjugated sulfone 6 and this was confirmed by the isomerization of 6 to 7 at room temperature under mild basic conditions.
Molecular modeling predicted that PLSCR1 is a type II membrane protein with a single transmembrane helix and a short C-terminal extracellular region (see on Fig. 3A).
Molecular modeling predicted that the mutated residue would form hydrogen bond with the adjacent residues, potentially affecting the structure and formation of an active complex with leptin receptor within that region.
Molecular modeling predicts that the 3-methoxy moiety of obatoclax penetrates into the P2 pocket of the BH3 binding site of Mcl-1.
(C ) Molecular modeling predicts that the observed changes in allosteric regulation in evolved CS sequences are primarily caused by how mutations affect the orientation of histidine-110 in the NADH binding pocket.
Mass spectrometry indicates that Tween 80 and DOSS are present in the 50 50 water:ethanol fraction of CWAF, which exhibits activity in the transactivation assay, and molecular modeling predicts that Span 80, Tween 80, and DOSS can bind to the PPARγ ligand-binding domain.
The activity of B-CK was inhibited by BU99006 and the molecular modelling predicted, with high probability, a binding pocket adjacent to the active site of B-CK.
Firstly, as described above, our molecular modelling predicted the existence of an I2 site within B-CK adjacent to the active site, and that the covalent attachment of BU99006 at the reactive Cys283 leads to a partial occupation of the active site.
