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The 3DZD has unique ability for fast comparison of three-dimensional shape of compounds.
The algorithm is based on the idea that the molecular shape of compounds is similar if the molecules overlay well and any volume mismatch is resulting from shape dissimilarity.
Pathway topology and its properties are converted into CyNetwork and CyTable objects, which are the standard data model in Cytoscape 3. In KGML, all graphical information, such as the color of enzymes or shape of compounds
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The coupler was designed for a small photo acceptance area photodiode based on the shape of compound parabolic concentrator.
We used 2D H C HSQC data collected from a series of liver extracts to evaluate the ability of FMLR to model the line shapes of compounds present in biological mixtures.
The peak shape of these compounds is consistent with the polar nature of the molecule and suggests an ionic functional group (possibly an underivatized hydroxyl or amino functional group).
The size and shape of our compounds support a Ni metalocentre spanning binding mode in most of the cases.
The Waters Xbridge C18 column improved the peak shape of the compounds from those obtained on the Gemini column.
These beads provide significantly better peak shape for compounds of interest and minimize unwanted secondary interactions.
Measurements of lava thickness made from a small set of Synthetic Aperture Radar (SAR) interferograms allowed the retrieval of the shape of the compound lava flow field and show that in 2009 it was subsiding by up to 6 cm/year.
By introducing the −OCH2– flexible linker between the phenylamidine and the azabenzimidazole, DB2277, the proper curvature and shape of the compound for the minor groove recognition is obtained.
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