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By Hugo O. Villar (Eds.)

The second one quantity in a chain which goals to target advances in computational biology. This quantity discusses such subject matters as: statistical research of protein sequences; development in large-scale series research; and the structure of loops in proteins

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From the size dependence of the data in Figure 9, the following conclusions can be drawn. f{L) in Eq. , that the two phases coexist in the thermodynamic limit. 0 K in Figure 9(c)* the barrier height does not depend on system size within the numerical accuracy indicating that the system is close to a continuous transition, in this case a lower critical mixing point. 30 c Figure 9. Mismatch model, Eq. (6), of the main phase transition of a DPPC lipid bilayer with intercalated amphiphilic polypeptides.

Figure 8(b). A very striking observation made from the model simulations (Sperotto and Mouritsen, 1993) of protein-induced compositional heterogeneity is related to a nonequilibrium transient effect found in the different concentration profiles of the two lipid species as these profiles establish themselves in the course of time. 3 _ J 1 J 1 2 3 1 4 1 5 J 6 ! \ 7 8 J ! 9 10 Figure 14. Protein-lipid interface enrichment and physical lipid specificity in a binary lipid mixture. Lipid concentration profiles, P{r), for the two lipid species are shown as a function of distance, r, from a very large integral membrane protein.

For different models of the protein, it was found that the disturbance of the neighboring lipids was only marginal. A similar result was obtained by Edholm and Johansson (1987) who performed a molecular dynamics study of a model membrane with 64 lipid molecules incorporated in a single polypeptide chain. Both of these extremely detailed simulation studies were performed on quite small systems at temperatures well above the pure bilayer phase transition. In order to determine the lipid profile closer to the transition, much larger systems have to be studied which, by computational limitations, implies that one has to restrict the model to a lattice.

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