Computer-generated diagrams

Figure 4.4 Schematic diagram of the structure of the a/p-barrel domain of the enzyme methylmalonyl-coenzyme A mutase. Alpha helices are red, and p strands are blue. The inside of the barrel is lined by small hydrophilic side chains (serine and threonine) from the p strands, which creates a hole in the middle where one of the substrate molecules, coenzyme A (green), binds along the axis of the barrel from one end to the other. (Adapted from a computer-generated diagram provided by P. Evans.)...

Figure S.ll A computer-generated diagram of the structure of y crystallin comprising one polypeptide chain of 170 amino acid residues. The diagram illustrates that the polypeptide chain is arranged in two domains (blue and red). Only main chain (N, C , Ca) atoms and no side chains are shown.

Figure 12.17 Computer-generated diagram of the stmcture of light-harvesting complex LH2 from Rhodopseudomonas acidophila. Nine a chains (gray) and nine p chains Bight blue) form two rings of transmembrane helices between which are bound nine carotenoids (yellow) and 27 bacteriochlorophyll molecules (red, green and dark blue). (Courtesy of M.Z. Papiz.)...

Figure 15.2 Computer-generated diagram of stress (T versus strain e for polymer consisting of flexible chains only (0 = 0).

Figure 15.4 Computer-generated diagram of stress a versus strain 8 for 0 = 0 at four different temperatures. (Redrawn from [8].)...

Figure 15.5 Computer-generated diagrams of stress a versus strain s for 0 values in random copolymers varying from 0 to 0.9.

These full color transparencies of illustrations from the text include reproductions of spectra orbital diagrams key tables computer generated molecular models and step by step reaction mechanisms... 

Fio. 17. Computer generated structure of hexagonal and random closed-cell foam obtained by Voronoi tessellation, shown as voxel representation of phase function (left), and network diagram where nodes correspond to cells and bonds to cell walls (from Salejova et ah, 2005). 

Fig. 3. Perspective drawing of the main-chain conformation of domestic hen egg-white lysozyme. The view is an elevation from the active-site side of the molecule (Imoto et al., 1972). Only the positions of the a-carbon atoms are shown. An instructive colored painting by I. Geis of the original three-dimensional model of lysozyme is reproduced in the early review by Phillips (1966). Of historic interest is the drawing of the model by the late Sir Lawrence Bragg (reproduced by Blake et al., 1965, and Phillips et al., 1987). It is to be noted that Bragg s diagram is a free-hand drawing and not an accurate computer-generated representation of the molecule. (Reproduced with permission from Imoto et al., 1972.)...

Fig. 3 Computer-generated stick diagrams of the absorption spectrum of the V2 fundamental band of Hj at four different temperatures. Note the large number of lines at ca. 2500 cm and Q branch transitions with the band origin at 2521.3 cm . ...

Computer-generated stick diagrams of the observed transitions are given in Fig. 5. 

Fig. 5 Computer-generated stick diagrams of the three observed hot bands 2v2(2) -, 2vj(0) <- Vj and v, -t <- Vj at a temperature...

Fig. 6 A computer-generated stick diagram of the Vj fundamental band for T = 30 K. This simple spectrum should represent absorption in dense clouds.

Fig. 7 A computer-generated stick diagram of the theoretical 2vj(2) - 0 emission spectrum at 1000 K. We used theoretical calculations communicated to us by J. K. G. Watson.

FIGURE 15.22. Assembly of subunits in proteins. Shown are two subunits of the enzyme D-xylose isomerase, forming a dimer by a one-armed embrace. (a) Line drawing connecting Co, carbon atoms, and (b) computer-generated view of the molecule with atoms with van der Waals radii on each Co, carbon atom. No side chains are shown in either diagram. In (a) one monomer is illustrated with black spheres, and the other with white spheres, in order to differentiate between them. (Courtesy H. L. Carrell)... 

Computer-generated electron density dot diagram for the hydrogen atom 2s-orbital. The nucleus is at the center of the square and the density of dots is proportional to the probability of finding the electron. Notice the location of the spherical node. 

Figure 8.8 Flow diagram for involvement of pharmacokinetic and pharmacodynamic mode/computer-generated feedback into the iterative process of drug discovery from medicinal chemistry to the decision to enter phase II trials. This is not a comprehensive flow diagram for all aspects of drug discovery - it is restricted to the components of the process discussed in this chapter. This flow diagram emphasizes efficient involvement of in vitro and in vivo experimental science and computer modeling, in review of data obtained in phase I studies, in the decisions related to selection of the best compound for patient studies...

Inferring Compare the diagrams of the molecules with the computer-generated images of the molecules produced by the STM. How are the conclusions about the molecular structure obtained using conventional methods supported by the photos ... 

NEW computer-generated molecular orbital diagrams are presented in Chapter 10. 

Keywords Automated modeling Simulation Mechatronics systems Computer generated differential equations Transfer functions State space CAMPG Bond graph Block diagrams MATLAB SIMULINK SYSQUAKE... 

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