Nature Methods · 2024 · 64 citations · 144 references
Life SciencesBiologyMolecular BiologyStructural BiochemistryStructural BioinformaticsStructural BiologyNucleic Acid ModelingRna BiophysicsRna FoldingRna StructureStructure PredictionAccuracyRna Folding PredictionRna Secondary Structure ElementsRna Structural ModelingRna Structure DeterminationRna Structure Prediction
RNA-Puzzles is a collective endeavor dedicated to the advancement and improvement of RNA three-dimensional structure prediction. With agreement from structural biologists, RNA structures are predicted by modeling groups before publication of the experimental structures. We report a large-scale set of predictions by 18 groups for 23 RNA-Puzzles: 4 RNA elements, 2 Aptamers, 4 Viral elements, 5 Ribozymes and 8 Riboswitches. We describe automatic assessment protocols for comparisons between prediction and experiment. Our analyses reveal some critical steps to be overcome to achieve good accuracy in modeling RNA structures: identification of helix-forming pairs and of non-Watson-Crick modules, correct coaxial stacking between helices and avoidance of entanglements. Three of the top four modeling groups in this round also ranked among the top four in the CASP15 contest.
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Helen M. Berman · Nucleic Acids Research · 2000 · 39.8K citations
A smooth particle mesh Ewald method
Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations