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New set of 2D/3D thermodynamic indices for proteins. A formalism based on “Molten Globule” theory.
- Source :
- Physics Procedia; Dec2010, Vol. 8, p63-72, 10p
- Publication Year :
- 2010
-
Abstract
- 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, predicting -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. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 18753892
- Volume :
- 8
- Database :
- Supplemental Index
- Journal :
- Physics Procedia
- Publication Type :
- Academic Journal
- Accession number :
- 55091728
- Full Text :
- https://doi.org/10.1016/j.phpro.2010.10.013