Computer-generated model

Figure 11.6 Steric hindrance to the Sn2 reaction. As the computer-generated models indicate, the carbon atom in (a) bromomethane is readily accessible, resulting in a fast Sfyj2 reaction. The carbon atoms in...

The use of computers as an additional tool in studying polymer shapes is discussed. A general discussion of molecular modeling is presented with specific application to polymers. An example relating hydrodynamic properties of hyaluronic acid to computer generated models is included. 

Figure 5.5 Computer-generated model of quadruple helix structures made of D-Glu-8 (1) based upon image-processed electron micrograph of helical fibers. Reprinted with permission from Ref. 35. Copyright 1993 by the American Chemical Society.

Design of Cyclo Retro Isomeric Somatostatin Analogs. We have described our working computer-generated model for the bloactive... 

Circular dichroism (CD) has also been used as a tool in determining the absolute stereochemistry of a side chain of a benzothiazine. The CD spectrum was compared against a computer-generated model <1999J(P1)149>. 

The computer generated model in Figure 1.6 shows the perfect fit of the exo-adduct inside the 2,2,2-trimer cavity. The smaller 1,1,2-trimer showed a stereoselective bias towards the endo-product at 30 °C however, this stereoselectivity is lost at higher temperatures (a mixture of both the endo- and exo-products was observed at 60 °C). The reversal of the stereochemical outcome of the Diels-Alder reaction between the two cyclic dimers (30 °C) appears to lie firstly in a large (500-fold) endo acceleration... 

Computer-generated model of the quaternary structure of hemoglobin, a protein consisting of four interlinked polypeptide chains, each shown in a different color. Computers are important tools for the study of biomolecules, as they help scientists visualize complex three-dimensional structures. 

FIGURE 7.38. Computer generated model of a liposome-streptavidin conjugate (a), a schematic representation of a liposome-streptavidin (Sav)-concanavalin A (Con A)-streptavidin multilayer (b) and of streptavidin crosslinked vesicles (c). 

FIGURE 7.42. Computer generated models of the molecular, super and giant amphiphiles and their respective dimensions. 

Figure 13.5 Computer-generated modeling of the relationship of a protease inhibitor with a binding domain. 

What can be learnt from computer-generated models of interactions between DNA and Pt(II) based anti-cancer drugs . 

A computer-generated model of a neon atom. KENNETH EWARD/BIOCRAFX. NATIONAL AUDUBON SOCIETY COLLECTION/PHOTO RESEARCHERS, INC. 

Fig. 3. Computer-generated model of PhjCft,. Note the minor perturbation on the structure of Cfto caused by the methylene carbon of the diphe-nylmethylene group.

One tool that is extremely useful in the construction of models is the computer. Computer-generated models enable scientists to design chemical substances and explore how they interact in virtual reality. A chemical model that looks promising for some practical application, such as treating a disease, might be the basis for the synthesis of the actual chemical. 

Computer-generated models of citrate synthase. Part (a) is a space-filling model, which shows the deep clefts in the enzyme. Part (b) Is a ribbon model, which emphasizes the a-helical segments of the protein chain and indicates that the enzyme is dimeric that is, it consists of two identical chains held together by hydrogen bonds and other intermolecular attractions. 

Pictorial approaches to molecular structure and reactivity based on computer-generated models of electron density distributions (as well as the... 

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