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

✍ Scribed by B. Ruiz-Blanco Yasser; Y. García; C.M. Sotomayor-Torres; Marrero-Ponce Yovani

• Publisher: Elsevier
• Year: 2010
• Tongue: English
• Weight: 373 KB
• Volume: 8
• Category: Article
• ISSN: 1875-3892
• DOI: 10.1016/j.phpro.2010.10.013

✦ Synopsis

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.