Folding free energy (DGfold)


This function constitutes an empirical potential (Ruiz-Blanco et al., 2013)designed to predict and describe the main factors involved in protein folding stability.

Where:

Where takes value one if a residue is aromatic or non-polar and cero otherwise, takes value one if the particular atom has an area value of cero and if is not involved in an H-bond and cero otherwise, and are the torsion angles of the backbone of the protein around bonds Ca-C and N-Ca respectively.

For more information see: DGLJ, DGel, DGtor, DGHBd, DGconf, DAnp, DGw and Table of index's parameters for values of knp, w1, w2, w3 .

References

Ruiz-Blanco, Y.B., Marrero-Ponce, Y., Paz, W., García, Y., and Salgado, J., 2013. Global Stability of Protein Folding from an Empirical Free Energy Function, DOI: 10.1016/j.jtbi.2012.12.023