A pair-conformation-dependent scoring function for evaluating 3D RNA-protein complex structures

PLoS One. 2017 Mar 30;12(3):e0174662. doi: 10.1371/journal.pone.0174662. eCollection 2017.

Abstract

Computational prediction of RNA-protein complex 3D structures includes two basic steps: one is sampling possible structures and another is scoring the sampled structures to pick out the correct one. At present, constructing accurate scoring functions is still not well solved and the performances of the scoring functions usually depend on used benchmarks. Here we propose a pair-conformation-dependent scoring function, 3dRPC-Score, for 3D RNA-protein complex structure prediction by considering the nucleotide-residue pairs having the same energy if their conformations are similar, instead of the distance-only dependence of the most existing scoring functions. Benchmarking shows that 3dRPC-Score has a consistent performance in three test sets.

MeSH terms

  • Algorithms
  • Computational Biology
  • Databases, Protein
  • Multiprotein Complexes / chemistry*
  • Protein Conformation
  • Proteins / chemistry*
  • RNA / chemistry*
  • RNA-Binding Proteins / chemistry*

Substances

  • Multiprotein Complexes
  • Proteins
  • RNA-Binding Proteins
  • RNA

Grants and funding

This work is supported partially by the National Natural Science Foundation of China under Grant No. 11374113 and 31570722. (http://www.nsfc.gov.cn). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.