Title

Performance of ZDOCK and IRAD in CAPRI rounds 39-45

UMMS Affiliation

Program in Bioinformatics and Integrative Biology

Publication Date

2020-01-29

Document Type

Article

Disciplines

Amino Acids, Peptides, and Proteins | Biochemistry, Biophysics, and Structural Biology | Bioinformatics | Computational Biology

Abstract

We report docking performance on the six targets of Critical Assessment of PRedicted Interactions (CAPRI) rounds 39-45 that involved heteromeric protein-protein interactions and had the solved structures released since the rounds were held. Our general strategy involved protein-protein docking using ZDOCK, reranking using IRAD, and structural refinement using Rosetta. In addition, we made extensive use of experimental data to guide our docking runs. All the experimental information at the amino-acid level proved correct. However, for two targets, we also used protein-complex structures as templates for modeling interfaces. These resulted in incorrect predictions, presumably due to the low sequence identity between the targets and templates. Albeit a small number of targets, the performance described here compared somewhat less favorably with our previous CAPRI reports, which may be due to the CAPRI targets being increasingly challenging.

Keywords

ZRANK, complex, docking, protein-protein interaction, structure

DOI of Published Version

10.1002/prot.25873

Source

Vreven T, Vangaveti S, Borrman TM, Gaines JC, Weng Z. Performance of ZDOCK and IRAD in CAPRI rounds 39-45. Proteins. 2020 Jan 29. doi: 10.1002/prot.25873. Epub ahead of print. PMID: 31994784. Link to article on publisher's site

Journal/Book/Conference Title

Proteins

Related Resources

Link to Article in PubMed

PubMed ID

31994784

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