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Energy parameter optimization, protein

When a reasonably good estimate for the entropy function of a protein model is obtained by the ESMC method, the foldability of the model can be determined therefore, in later studies [25-27], the entropy function computed by the ESMC method was used as a monitor for optimization of the interaction energy parameters for folding protein models. [Pg.264]

Keywords, protein folding, tertiary structure, potential energy surface, global optimization, empirical potential, residue potential, surface potential, parameter estimation, density estimation, cluster analysis, quadratic programming... [Pg.212]


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