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Peptide studies by means of principal properties of amino acids derived from MIF descriptors
Author(s) -
Cruciani Gabriele,
Baroni Massimo,
Carosati Emanuele,
Clementi Monica,
Valigi Roberta,
Clementi Sergio
Publication year - 2004
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/cem.856
Subject(s) - peptide , principal (computer security) , polarity (international relations) , set (abstract data type) , amino acid , chemistry , covariance , computer science , mathematics , biological system , statistics , biology , biochemistry , cell , programming language , operating system
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 (PP 1 ), size/hydrophobicity (PP 2 ) and H‐bonding capability (PP 3 ) 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 © 2004 John Wiley & Sons, Ltd.