Universitat Autònoma de Barcelona
We define eight new macromolecular indices, and several related descriptors for proteins. The coarse grained methodology used for its deduction ensures its fast execution and becomes a powerful potential tool to explore large databases of protein structures. The indices are intended for stability studies, predicting Φ-values, predicting folding rate constants, protein QSAR/QSPR as well as protein alignment studies. Also, these indices could be used as scoring function in protein-protein docking or 3D protein structure prediction algorithms and any others applications which need a numerical code for proteins and/or residues from 2D or 3D format.
English
Folding degree; FPI; Protein folding descriptor; Protein indices; Protein stability
Physics Procedia ; Vol. 8 (March 2010), p. 63-72
open access
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