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Cover Image, Volume 34, Issue 4
Publication year - 2013
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23232
Subject(s) - docking (animal) , computer science , protein data bank (rcsb pdb) , cover (algebra) , front cover , information retrieval , artificial intelligence , stereochemistry , chemistry , mechanical engineering , engineering , medicine , nursing
On page 311 , Sheng‐You Huang and Xiaoqin Zou present the development of a novel non‐redundant, diverse benchmark dataset for protein–RNA docking and scoring, which is expected to benefit the development and improvement of docking and scoring algorithms for the docking community. The dataset is classified into three categories according to the interface RMSD and the percentage of native contacts in the unbound structures: 49 easy, 16 medium, and 7 difficult targets. The front cover shows the comparison of the bound and unbound structures of a target (PDB entry: 2FMT) in the benchmark, in which the bound/unbound conformations of the protein are colored in magenta/cyan and the bound/unbound conformations of the RNA are colored in red/yellow.