HawkRank: a new scoring function for protein-protein docking based on weighted energy terms.

ABSTRACT: Deciphering the structural determinants of protein-protein interactions (PPIs) is essential to gain a deep understanding of many important biological functions in the living cells. Computational approaches for the structural modeling of PPIs, such as protein-protein docking, are quite needed to complement existing experimental techniques. The reliability of a protein-protein docking method is dependent on the ability of the scoring function to accurately distinguish the near-native binding structures from a huge number of decoys. In this study, we developed HawkRank, a novel scoring function designed for the sampling stage of protein-protein docking by summing the contributions from several energy terms, including van der Waals potentials, electrostatic potentials and desolvation potential

SUBMITTER: Feng T 

PROVIDER: S-EPMC5745212 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature