Computer simulation of the competition between protein folding and aggregation

In an attempt to gain insights that might eventually lead to the developmen t of new ways to avoid or minimize losses due to protein aggregation, we ha ve performed dynamic Monte Carlo simulations on very simple lattice models of systems containing both isolated and multiple protein chains. Protein fo lding pathways, intermediate populations, refolding yields and aggregation were monitored as a function of both denaturant and protein concentrations. We find that there exists optimum levels of denaturant and protein concent ration at which the refolding yield is highest, in agreement with some expe rimental observations. (C) 1999 Elsevier Science B.V. All rights reserved.