Peptide studies by means of principal properties of amino acids derived from MIF descriptors
Gabriele Cruciani, Massimo Baroni, Emanuele Carosati, Monica Clementi, Roberta Valigi, Sérgio Clementi · Journal of Chemometrics · 2004
Abstract 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 © 2004 John Wiley & Sons, Ltd.