Protein-Protein interaction affinity prediction based on interface descriptors and machine learning
ICIC'12 Proceedings of the 8th international conference on Intelligent Computing Theories and Applications
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We develop a knowledge-based statistical energy function on residual level for quantitatively predicting the affinity of protein-protein complexes by using 20 residue types and a distance-free reference state. The correlation coefficients between experimentally measured protein-protein binding affinities (PPIA) and the predicted affinities by our approach are 0.74 for 82 proteinprotein (peptide) complexes. Compared to the published results of two other volume corrected knowledge-based scoring functions on atomic level, the proposed approach not only is the simplest but also yields the comparable correlation between theoretical and experimental binding affinities of the test sets with the reported best methods.