New set of 2D/3D thermodynamic indices for proteins. A formalism based on "Molten Globule" theory

Abstract:

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, pbkp_redicting Φ-values, pbkp_redicting 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 pbkp_rediction algorithms and any others applications which need a numerical code for proteins and/or residues from 2D or 3D format. © 2010 Published by Elsevier Ltd.

Año de publicación:

2010

Keywords:

• Protein folding descriptor
• Protein stability
• Protein indices
• Folding degree
• FPI

Fuente:

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