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
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 articlesArticles >
Published articles
Record created 2019-06-03, last modified 2022-09-10