Statistical analyses of aggregation processes

In this Chapter, we will investigate thermodynamic properties of aggregation transitions of polymers and peptides from different perspectives of statistical analysis. 

These phenomena can also be expected to occur in the aggregation process of polymers. To this end, we will now investigate the aggregation behavior of a mesoscopic hydrophobic-polar heteropolymer model for aggregation [254, 255], which is based on the simple AB model [14] that we have already discussed in the context of tertiary folding behavior of proteins from a generic, coarse-grained point of view. 

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This book reviews the statistical mechanics concepts and tools necessary for the study of structure formation processes in macromolecular systems that are essentially influenced by finite-size and surface effects. Readers are introduced to molecular modeling approaches, advanced Monte Carlo simulation techniques, and systematic statistical analyses of numerical data. Apphcations to folding, aggregation, and substrate adsorption processes of polymers and proteins are discussed in great detail. Particular emphasis is placed on the reduction of complexity by coarse-grained modeling, which allows for the efficient, systematic investigation of stractural phases and transitions. 

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