Peptide studies by means of principal properties of amino acids derived from MIF descriptors

被引：46

作者：

Cruciani, G ^{[1
]}

Baroni, M ^{[1
]}

Carosati, E ^{[1
]}

Clementi, M ^{[1
]}

Valigi, R ^{[1
]}

Clementi, S ^{[1
]}

机构：

[1] Univ Perugia, Dept Chem, Lab Chemometr & Cheminformat, Perugia, Italy

来源：

JOURNAL OF CHEMOMETRICS | 2004年 / 18卷 / 3-4期

关键词：

principal properties (PPs); amino acids (AAs); auto- and cross-covariance (ACC) transform; design; peptides;

D O I：

10.1002/cem.856

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

The paper derives a new set of principal properties (PPs) for coded amino acids from GRID maps and experimental data. The three scales characterize side chains according to their polarity (PP1), size/hydrophobicity (PP2) and H-bonding capability (PP3) and can be used profitably both for describing and designing peptide series. The new parameters are further used to develop modified auto- and cross-covariance transforms which appear to be even more suitable for the stated goals, as they label each peptide according to its bonding capabilities. Copyright (C) 2004 John Wiley Sons, Ltd.

引用

页码：146 / 155

页数：10

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