Zhou Ruhong, Silverman B David
IBM Thomas J. Watson Research Center, Route 134 & PO Box 218, Yorktown, Heights, NY 10598, USA.
Pac Symp Biocomput. 2002:673-84.
A new hydrophobic score will be presented in this paper for detecting native-like folds from a large set of decoy structures. A recent paper (B. D. Silverman, PNAS 98, 4996, 2001) had revealed that for globular proteins there exists a relatively universal constant of 0.74 for a hydrophobic ratio, which is defined as the ratio of radii from the protein centroid at which the second order hydrophobic moment and the zero order moment vanishes. This paper further defines a new hydrophobic score which will be used to examine protein decoys, in particular, the Holm & Sander, Park & Levitt and Baker decoy sets. It will be shown that the hydrophobic score and profile shapes can provide useful information that should be complementary to the information provided by other procedures, such as free energy calculations.
本文将提出一种新的疏水评分，用于从大量诱饵结构中检测类似天然的折叠。最近一篇论文（B.D. 西尔弗曼，《美国国家科学院院刊》98, 4996, 2001）表明，对于球状蛋白质，疏水比存在一个相对通用的常数0.74，疏水比定义为从蛋白质质心出发，二阶疏水矩和零阶矩消失时的半径之比。本文进一步定义了一种新的疏水评分，将用于检查蛋白质诱饵，特别是霍尔姆和桑德、帕克和莱维特以及贝克诱饵集。结果将表明，疏水评分和轮廓形状可以提供有用信息，这些信息应与其他程序（如自由能计算）提供的信息互补。
