title: A pair-conformation-dependent scoring function for evaluating 3D RNA-protein complex structures.
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.
authors.affiliation: Biomolecular Physics and Modeling Group, School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, China.
authors.forename: Haotian
authors.initials: H
authors.lastname: Li
authors.affiliation: Biomolecular Physics and Modeling Group, School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, China.
authors.forename: Yangyu
authors.initials: Y
authors.lastname: Huang
authors.affiliation: Biomolecular Physics and Modeling Group, School of Physics, Huazhong University of Science and Technology, Wuhan, Hubei, China.
authors.forename: Yi
authors.identifier: http://orcid.org/0000-0002-5023-3166
authors.initials: Y
authors.lastname: Xiao
mesh_terms: D000465:Algorithms; D019295:Computational Biology; D030562:Databases, Protein; D046912:Multiprotein Complexes / Q000737:chemistry*; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012313:RNA / Q000737:chemistry*; D016601:RNA-Binding Proteins / Q000737:chemistry*
chemical_list: D046912:Multiprotein Complexes; D011506:Proteins; D016601:RNA-Binding Proteins; D012313:RNA