New set of 2D/3D thermodynamic indices for proteins. A formalism based on "Molten Globule" theory
Ruiz Blanco, Yasser B. (Central University of Las Villas. Unit of Computer-Aided Molecular Biosilico Discovery and Bioinformatic Research (Cuba))
García, Yamila (Centre d'Investigació en Nanociència i Nanotecnologia)
Sotomayor Torres, Clivia M. (Centre d'Investigació en Nanociència i Nanotecnologia)
Marrero Ponce, Yovani (Central University of Las Villas. Unit of Computer-Aided Molecular Biosilico Discovery and Bioinformatic Research (Cuba))

Date:	2010
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 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.
Rights:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, i la comunicació pública de l'obra, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original. No es permet la creació d'obres derivades.
Language:	Anglès
Document:	Article ; recerca ; Versió publicada
Subject:	Folding degree ; FPI ; Protein folding descriptor ; Protein indices ; Protein stability
Published in:	Physics Procedia, Vol. 8 (March 2010) , p. 63-72, ISSN 1875-3892

DOI: 10.1016/j.phpro.2010.10.013

10 p, 342.2 KB

The record appears in these collections:
Research literature > UAB research groups literature > Research Centres and Groups (research output) > Experimental sciences > Catalan Institute of Nanoscience and Nanotechnology (ICN2)
Articles > Research articles
Articles > Published articles