TY - JOUR
T1 - New set of 2D/3D thermodynamic indices for proteins. A formalism based on "Molten Globule" theory
AU - Ruiz-Blanco, Yasser B.
AU - García, Y.
AU - Sotomayor-Torres, C. M.
AU - Marrero-Ponce, Yovani
PY - 2010
Y1 - 2010
N2 - 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.
AB - 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.
KW - FPI
KW - Folding degree
KW - Protein folding descriptor
KW - Protein indices
KW - Protein stability
UR - http://www.scopus.com/inward/record.url?scp=79551658176&partnerID=8YFLogxK
U2 - 10.1016/j.phpro.2010.10.013
DO - 10.1016/j.phpro.2010.10.013
M3 - Artículo
AN - SCOPUS:79551658176
SN - 1875-3884
VL - 8
SP - 63
EP - 72
JO - Physics Procedia
JF - Physics Procedia
ER -