HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSA.

ABSTRACT: Protein-protein interactions (PPIs) play an important role in the different functions of cells, but accurate prediction of the three-dimensional structures for PPIs is still a notoriously difficult task. In this study, HawkDock, a free and open accessed web server, was developed to predict and analyze the structures of PPIs. In the HawkDock server, the ATTRACT docking algorithm, the HawkRank scoring function developed in our group and the MM/GBSA free energy decomposition analysis were seamlessly integrated into a multi-functional platform. The structures of PPIs were predicted by combining the ATTRACT docking and the HawkRank re-scoring, and the key residues for PPIs were highlighted by the MM/GBSA free energy decomposition. The molecular visualization was supported by 3Dmol.js. For the s

SUBMITTER: Weng G 

PROVIDER: S-EPMC6602443 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature