Almeida Paulo F
Department of Chemistry and Biochemistry, University of North Carolina Wilmington, Wilmington, NC, USA.
Methods Mol Biol. 2011;683:81-98. doi: 10.1007/978-1-60761-919-2_7.
The ability to predict properties such as peptide binding and insertion into membranes is an important and time-saving asset in the design of new cell-penetrating peptides (CPPs). Methods to predict those properties are described here, which make use of calculations performed with the Wimley-White hydrophobicity scales. In addition, electrostatic effects can be estimated in a way that provides acceptably close approximations in many cases. Finally, an estimate of the probability of insertion is also discussed. These procedures are illustrated by comparing the calculations with experiments on a few CPPs.
预测诸如肽结合和插入膜等性质的能力，在新型细胞穿透肽（CPP）的设计中是一项重要且节省时间的资产。本文描述了预测这些性质的方法，这些方法利用了基于Wimley-White疏水性标度进行的计算。此外，在许多情况下，可以通过一种能提供可接受的近似值的方式来估计静电效应。最后，还讨论了插入概率的估计。通过将计算结果与几种CPP的实验结果进行比较来说明这些程序。
