Advances in Computational Biology by Hugo O. Villar (Eds.)

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; growth in large-scale series research; and the structure of loops in proteins

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The linear sizes of the systems correspond to L = 5 (a), 7 (A), 9 (O) and 11 (x). (b) Phase diagram. , 1995). The size dependence of the compositional distribution function is displayed in Figure 7(a). The family of distribution functions is shown at the appropriate size-dependent chemical-potential values corresponding to phase coexistence. It is seen that, as the system size is increased, there is a dramatic increase in the free energy barrier between the two phases and that the composition of the mixture at the given thermodynamic conditions is given by J^SPC "= ^-^^ ^ ^ ^spc ~ ^•^^- ^^^ ^^ unambiguous evidence of phase coexistence in the thermodynamic limit and that the interfacial tension tends towards a nonzero value; cf.

V ^ y m=l The parameter 7 ^ is related to the direct 1 ipid-protein van der Waals-like interaction which is associated with the interfacial hydrophobic contact of the two molecules, while the parameter F^p is related to the hydrophobic effect. Lp- = 0,1 is the protein occupation variable, xj^ and Lp- satisfy a completeness relation at each lattice site, Z^X^ + Lp. = 1. The model in Eq. (6) can readily be extended to binary lipid mixtures using Eqs. (4) and (5). The appropriate values of the lipid-protein interaction parameters, Vj^ and Jj^, will be discussed below.

One-Component Lipid Bilayers We shall briefly describe the results of model calculations of the mismatch model for one-component lipid bilayers in order to illustrate the strength of the present computational approach to phase transitions in lipid bilayer membranes. The mismatch model is defined by the Hamiltonian in Eq. (3). , 1992a). Above this critical value, the main transition is of first order and below this value there is no phase transition. F(A, T, L), derived from the distribution function for the membrane area, A, was calculated for several values of the mismatch parameter to examine the phase behavior of the system and to locate the critical point.

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