کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1393198 | 1501193 | 2010 | 8 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Peptide binding to the HLA-DRB1 supertype: A proteochemometrics analysis Peptide binding to the HLA-DRB1 supertype: A proteochemometrics analysis](/preview/png/1393198.png)
A proteochemometrics approach was applied to a set of 2666 peptides binding to 12 HLA-DRB1 proteins. Sequences of both peptide and protein were described using three z-descriptors. Cross terms accounting for adjacent positions and for every second position in the peptides were included in the models, as well as cross terms for peptide/protein interactions. Models were derived based on combinations of different blocks of variables. These models had moderate goodness of fit, as expressed by r2, which ranged from 0.685 to 0.732; and good cross-validated predictive ability, as expressed by q2, which varied from 0.678 to 0.719. The external predictive ability was tested using a set of 356 HLA-DRB1 binders, which showed an r2pred in the range 0.364–0.530. Peptide and protein positions involved in the interactions were analyzed in terms of hydrophobicity, steric bulk and polarity.
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Journal: European Journal of Medicinal Chemistry - Volume 45, Issue 1, January 2010, Pages 236–243