Classification of heterodimer interfaces using docking models and construction of scoring functions for the complex structure prediction.

ABSTRACT: Protein-protein docking simulations can provide the predicted complex structural models. In a docking simulation, several putative structural models are selected by scoring functions from an ensemble of many complex models. Scoring functions based on statistical analyses of heterodimers are usually designed to select the complex model with the most abundant interaction mode found among the known complexes, as the correct model. However, because the formation schemes of heterodimers are extremely diverse, a single scoring function does not seem to be sufficient to describe the fitness of the predicted models other than the most abundant interaction mode. Thus, it is necessary to classify the heterodimers in terms of their individual interaction modes, and then to construct multiple scoring

SUBMITTER: Tsuchiya Y 

PROVIDER: S-EPMC3169947 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature