Schroeder S J, Burkard M E, Turner D H
Department of Chemistry, University of Rochester, RC Box 270216, Rochester, NY 14627-0216, USA.
Biopolymers. 1999;52(4):157-67. doi: 10.1002/1097-0282(1999)52:4<157::AID-BIP1001>3.0.CO;2-E.
The energetics of small internal loops are important for prediction of RNA secondary and tertiary structure, selection of drug target sites, and understanding RNA structure-function relationships. Hydrogen bonding, base stacking, electrostatic interactions, backbone distortion, and base-pair size compatibility all contribute to the energetics of small internal loops. Thus, the sequence dependence of these energetics are idiosyncratic. Current approximations for predicting the free energies of internal loops consider size, asymmetry, closing base pairs, and the potential to form GA, GG, or UU pairs. The database of known three-dimensional structures allows for comparison with the models used for predicting stability from sequence.
小内环的能量学对于预测RNA二级和三级结构、选择药物靶点以及理解RNA结构与功能的关系至关重要。氢键、碱基堆积、静电相互作用、主链扭曲以及碱基对大小兼容性均对小内环的能量学有贡献。因此,这些能量学的序列依赖性是独特的。当前预测内环自由能的近似方法考虑了环的大小、不对称性、封闭碱基对以及形成GA、GG或UU对的可能性。已知三维结构的数据库有助于与用于从序列预测稳定性的模型进行比较。