Ding Ye
Wadsworth Center, New York State Department of Health, Center for Medical Science, 150 New Scotland Avenue, Albany, NY 12208, USA.
RNA. 2006 Mar;12(3):323-31. doi: 10.1261/rna.2274106.
Prediction of RNA secondary structure is a fundamental problem in computational structural biology. For several decades, free energy minimization has been the most popular method for prediction from a single sequence. In recent years, the McCaskill algorithm for computation of partition function and base-pair probabilities has become increasingly appreciated. This paradigm-shifting work has inspired the developments of extended partition function algorithms, statistical sampling and clustering, and application of Bayesian statistical inference. The performance of thermodynamics-based methods is limited by thermodynamic rules and parameters. However, further improvements may come from statistical estimates derived from structural databases for thermodynamics parameters with weak or little experimental data. The Bayesian inference approach appears to be promising in this context.
RNA二级结构预测是计算结构生物学中的一个基本问题。几十年来,自由能最小化一直是从单序列进行预测的最流行方法。近年来,用于计算配分函数和碱基对概率的麦卡斯基尔算法越来越受到重视。这项具有范式转变意义的工作激发了扩展配分函数算法、统计抽样和聚类的发展,以及贝叶斯统计推断的应用。基于热力学的方法的性能受到热力学规则和参数的限制。然而,进一步的改进可能来自于从结构数据库中对缺乏或几乎没有实验数据的热力学参数进行的统计估计。在这种情况下,贝叶斯推断方法似乎很有前景。