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

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.