PT  - JOURNAL ARTICLE
AU  - Gang Xu
AU  - Tianqi Ma
AU  - Tianwu Zang
AU  - Qinghua Wang
AU  - Jianpeng Ma
TI  - OPUS-CSF: A C-atom-based Scoring Function for Ranking Protein Structural Models
AID  - 10.1101/163972
DP  - 2017 Jan 01
TA  - bioRxiv
PG  - 163972
4099  - http://biorxiv.org/content/early/2017/07/18/163972.short
4100  - http://biorxiv.org/content/early/2017/07/18/163972.full
AB  - We report a C-atom-based scoring function, named OPUS-CSF, for ranking protein structural models. Rather than using traditional Boltzmann formula, we built a scoring function (CSF score) based on the native distributions (analyzed through entire PDB) of coordinate components of mainchain C atoms on selected residues of peptide segments of 5, 7, 9, and 11 residues in length. In testing OPUS-CSF on decoy recognition, it maximally recognized 257 native structures out of 278 targets in 11 commonly used decoy sets, significantly more than other popular all-atom empirical potentials. The average correlation coefficient with TM-score was also comparable with those of other potentials. OPUS-CSF is a highly coarse-grained scoring function, which only requires input of partial mainchain information, and very fast. Thus it is suitable for applications at early stage of structural building.