Sentence examples for by molecular docking experiment from inspiring English sources
The structures have been validated through detailed analysis of the Ludi score values and by molecular docking experiment using FlexX.
The binding site of EMD 57033 in the human β-cardiac myosin motor domain was further defined by molecular docking experiments in combination with direct binding studies using myosin motor domain constructs with alterations in the predicted binding region.
We investigated the interactions of ouabain and its analogs to Na+/K+ ATPase at the atomic level by molecular docking experiments in an effort to rationalize the SAR results with respect to inhibition of Na+/K+ ATPase ion-transport function and cell migration.
Molecular docking experiment was performed using AutoDock Vina [ 18], which automatically calculates the grid maps.
This was followed by structural mapping of 12 critical polymorphic variants and molecular docking experiments with five different known substrates/drugs of hFMO3 namely, benzydamine, sulindac sulfide, tozasertib, methimazole and trimethylamine.
In the present work, both cholesterol and stearic acid were shown through molecular docking experiments to interact favorably with a cleft formed by conserved residues within the C-terminal region, including helix α6.
Molecular docking experiments demonstrated that 3k possessed superior affinity with target enzyme by strong hydrogen bond from morpholine ring.
C.R.R. performed the molecular docking experiments.
Molecular docking experiments suggested that compounds 5c and 5g could insert into base-pairs of DNA hexamer duplex by the formation of hydrogen bonds with guanine of DNA.
