• Chinese Physics B
  • Vol. 29, Issue 10, (2020)
Daiwen Sun1, Shijie Liu1, and Xinqi Gong1、2、†
Author Affiliations
  • 1Mathematics Intelligence Application Laboratory, Institute for Mathematical Sciences, Renmin University of China, Beijing 00872, China
  • 2Beijing Advanced Innovation Center for Structural Biology, Tshinghua University, Beijing 100094, China
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    DOI: 10.1088/1674-1056/abb659 Cite this Article
    Daiwen Sun, Shijie Liu, Xinqi Gong. Review of multimer protein–protein interaction complex topology and structure prediction[J]. Chinese Physics B, 2020, 29(10): Copy Citation Text show less
    The main content of protein interaction calculation.
    Fig. 1. The main content of protein interaction calculation.
    Statistics of protein multimers in PDB database.
    Fig. 2. Statistics of protein multimers in PDB database.
    The system of protein complex prediction.
    Fig. 3. The system of protein complex prediction.
    Optimization algorithmsPrograms
    Fast Fourier transformationZDOCK; GRAMM; DOT; SmoothDock; ClusPro; MolFit; FTDock; 3D-Dock; PIPER; pyDock; HDOCK; SDOCK; HEX; FRODOCK; InterEvDock; MDockPP; CoDockPP; HSYMDOCK; SAM
    Monte CarloRosettaDock; ICM-DOCK; HADDOCK; ATTRACT
    Genetic algorithmDARWIN; Multi-LZerD; AutoDock
    Table 1. Classification of optimization algorithms applied by protein protein docking approached.
    MethodsDescriptionAdvantagesLimits
    Interface residue pair predictionComplexContact; RaptorX-Contact; RaptorX-Property; Gremlin; DNCON2; PSICOV; FreeContact; LSTM; LSTM with Graph RepresentationDirect evolutionary coupling analysis (DCA), machine learning and deep learning methodsInterfacial residue pair prediction can help subsequent protein complex structure predictions, such as docking.Protein contact map prediction can help reconstruct the three-dimensional structure of protein complexes.The accuracy of interface residues for prediction needs to be improved.
    Protein structure predictionTemplate-freeZDOCK; GRAMM; DOT; SmoothDock; ClusPro; MolFit; FTDock; 3D-Dock; PIPER; pyDock; HDOCK; SDOCK; HEX; FRODOCK; InterEvDock; MDockPP; CoDockPP; HSYMDOCK; SAM; RosettaDock; ICM-DOCK; HADDOCK; ATTRACT; DARWIN; Multi-LZerD; AutoDockThe search strategies of these methods are mainly FFT, GA and MC.Protein docking can give all possible complex structures, some of which can also dock Cn and Dn complexes.Designing an effective scoring function to sort the docking structure remains to be further explored.
    Template-basedInterPreTS; Multimeric threading approach; M-Tasser; PISA; ProtCIDUsing sequence or structure similarity to model protein complexes with known structures.Template-based methods mainly reduce the possible structure by restricting the direction of protein binding. This method is more efficient than docking and can be applied to larger-scale protein complex prediction.For proteins without a template, the structure of the complex cannot be predicted.
    Protein complex prediction from PPI networksComplex prediction based on PPI network clusteringMCODE; MCL; SPC; LCMA; SuperComplex; BN; CFinder; DPClus; IPCA; CMC; ClusterONE; HACOThe protein complex is part of a known PPI network, that is, the graph composed of protein complexes and their interactions is a subgraph of the PPI network.Some of these methods only use the PPI network for clustering, and some use additional biological information, including structure, function, organization and co-evolution infornation, etc.The proteins that may form complexes can only be picked out from the existing PPI network.
    Complex interaction link prediction from PPI networkGGA; HAC; ECT; RWR; MDS; Link-weighted PPIMethods to predict actual links in the network include public neighbors-based methods and distance-based methods.This type of method predicts possible protein--protein interactions based on existing network information.Public neighbors-based methods have limited effect on sparse networks.
    Table 2. The summary of protein complex calculations.
    Daiwen Sun, Shijie Liu, Xinqi Gong. Review of multimer protein–protein interaction complex topology and structure prediction[J]. Chinese Physics B, 2020, 29(10):
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