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Exact(3)
In their case the sequence-structure correlation was quantified, however, by using only the measures based on the structurally aligned regions of the proteins.
The Flpp3 structure demonstrates a globular protein with an electrostatically polarized surface containing an internal cavity a putative binding site based on the structurally homologous Bet v1 protein family of allergens.
For OAA, the LOD is 60 μM; for 3-phosphohydroxypyruvate, the LOD cannot be directly determined due to the lack of a commercially available standard but is likely in the vicinity of 10 μM based on the structurally similar compound 3PG.
Similar(57)
Based on the close structurally related derivatives of ionone, they could be expected to exhibit similar biological activities.
Structurally, based on the crystal structure for human group IIA and group X sPLA2, all three proteins are thought to share a common interfacial-binding surface and three-dimensional organization (Lambeau & Gelb, 2008; Winget et al, 2006).
The reason we used maximum scores when there are multiple drugs in a sub-network is based on the idea that structurally similar drugs likely interact with the same protein and most structurally similar drugs probably most effectively interact with the protein and therefore have most influence on the DDI.
Based on the assumption that structurally similar chemicals could have similar bioactivities, three types of tools for exact, similarity and substructure searches have been implemented to facilitate the search of structurally similar chemicals.
Type III VGPC toxins are similar to VGSC toxins based on the placement of structurally important cysteine residues, but they show no effect on VGSC [ 36].
A different hypothesis is based on the finding that the structurally related cohesin complex holds sister chromatids in eukaryotes together by entrapping sister DNA fibers within its ring (Gruber et al., 2003; Gligoris et al., 2014).
Though many CoMFA reports have shown that it is difficult to use the analysis of flexible molecules to generate a CoMFA model, and many of the molecules used in this study have linear, flexible structure, the model presented here that is based on the superposition of both structurally diverse compound classes has acceptable predictive ability.
Moreover, the Langmuir equation is based on the assumption of a structurally homogeneous adsorbent where all adsorption sites are identical and energetically equivalent.
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