标题： 基于蛋白质共进化数据的有效势能的多体项提高了准确性 显示英文标题

标题： A many-body term improves the accuracy of effective potentials based on protein coevolutionary data

摘要： 在同源蛋白质对齐中相关突变的研究已被证明不仅在预测其天然构象方面是成功的，而且在开发氨基酸对之间的两体有效势能方面也取得了成功。 在本研究中，我们扩展了有效势能，引入了一个多体项，该多项基于相同的理论框架，并利用了最大熵原理。 扩展后的势能在预测14种蛋白质（包括膜蛋白）中308种突变的能源效应方面优于两体势能。 多体项参数的平均值与相应残基的疏水性程度相关，这表明该术语部分反映了溶剂的影响。 显示英文摘要

摘要： The study of correlated mutations in alignments of homologous proteins proved to be succesful not only in the prediction of their native conformation, but also in the developement of a two-body effective potential between pairs of amino acids. In the present work we extend the effective potential, introducing a many--body term based on the same theoretical framework, making use of a principle of maximum entropy. The extended potential performs better than the two--body one in predicting the energetic effect of 308 mutations in 14 proteins (including membrane proteins). The average value of the parameters of the many-body term correlates with the degree of hydrophobicity of the corresponding residues, suggesting that this term partly reflects the effect of the solvent.