2D depiction

D depiction for the five chemical series. R-positions represent sites which were allowed to change within a given library while X-positions indicate not changing chemical matter whose structure cannot be disclosed... 

Protein family Chemical series 2D depiction Number of Compounds R-groups... 

The information about selected objects is also communicated to other views in LigandScout, such as a 2D depiction and a tree-viewer. In this way, the user can easily identify parts of the molecule in the different views and find additional information about them. 

Population display shows the fiequency of occurrence of residues. The show ligand option displays all the bound hgands in a 2D depict form. Here, it shows in nine out of ten complexes, the alanine residue is interacting with the aurora kinase protein (Fig. 9.49). 

Figure 23.11 (a) Schematic 2D depiction of series 8 with malonadd fragment 7-FRAG. the binding modes of compounds 7, 7-FRAG (b) SchemaHc representation of our lead-... 

Algorithms for stereochemical depictions usually start from some automatically generated 2D depiction that is transformed by flipping double bonds that do not match the required... 

An alternative 2D ESEEM experiment based on the four-pulse sequence depicted in figure B 1.15.12(B) has been proposed by Meliring and coworkers [40]. In the hyperfme sublevel correlation (HYSCORE) experiment, the decay of the echo intensity as a fimction of is governed by -relaxation, whereas the echo decay along the t2-axis is... 

Except for the phase-contrast detector in STEM [9], STEM and SEM detectors do not track the position of the recorded electron. The spatial information of an image is fonned instead by assigning the measured electron current to the known position of the scaimed incident electron beam. This infomiation is then mapped into a 2D pixel array, which is depicted either on a TV screen or digitalized in a computer. 

Our very first experiments with the reactor depicted in Figure 5.4.1 were carried out with a 15% Pt-Y-Al203 single cylindrical catalyst pellet [10-12], The acquisition time of 2D images of an axial slice at that time was about 260 s. Despite this, the first direct MRI visualization of the operation of a model gas-liquid-solid reactor has revealed the existence of large gradients of the liquid phase content within the catalyst pellet upon imbibition of liquid a-methylstyrene (AMS) under conditions... 

Now, as in the H,H correlation, the actual 2D spectrum forms the central square, and the ID phosphorus spectra are depicted above and to one side of the square. There is a diagonal and there are cross peaks. 

A sketch of the perforated lamellar morphology is depicted in Fig. 2. Depending on the point of view, the 2D projection exhibits different patterns perpendicular to the layers of the perforated lamellar structure the projection appears like a hexagonal honeycomb mesh (Fig. 2a). By contrast, the parallel view (Fig. 2b) leads to rows of spots. 

All chair conformations depicted in the schemes throughout this chapter were elucidated using 2D NMR techniques and coupling constants. 

The R(0)HF/6-311G(2d,p) orbital energies for NH3, NH2, and triplet NH are depicted in Fig. 13,77 which shows graphically the 38 kcal/mol decrease in the energy of the lone pair orbital on going from NH2 to triplet NH. Fig. 13 also shows that an increase in 2s character, due to rehybridization, also stabilizes the... 

Figure 3. Contour piot of the eiectronic density of a (tripiet) eigenstate strongly scarred by the antisymmetric stretch orbit (left), in 2D configuration space (spanned by the electrons distances ri and r-2 from the nucleus, in the collinear configurations considered here). This eigenstate belong to the N = 9 series. The solid lines depict the associated classical periodic orbit. Autoionization rates of antisymmetric stretch singlet states (right) of the Nth autoionizing series of the helium spectrum, in ID (squares), 2D (circles), and 3D (diamonds) configuration space.

The equatorial positions of the octahedron are occupied by the CN moieties of the [Ag(CN)2] groups. As in the pz derivative, each [Ag(CN)2] group connects two iron atoms defining the edges of a Fe4[Ag(CN)2]4 rhombus. However, the edge-shared rhombuses define 2D corrugated nets in contrast to the pz derivative, due to the three-coordination of the Ag atoms (see Fig. 19). A schematic view of one 3D network is depicted in Fig. 20. 

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