Optimization of linear energy functions
The choice of a linear form for the energy function enables us to efficiently optimize the parameters, such that, the energy of the native state will be lower than that of every non native state. Each inequality divides the parameter space into two regions,
accessible (each point in the space represent a valid solution) and
inaccessible. A given inequality may give rise to three outcomes: It may (i) reduce the space allowed for the parameter set (most desirable),
(ii) have no effect on the allowed space or (iii) impose an impossible condition (no solution exists) (D). Optimization
in our study was performed using the interior point algorithm BPMPD
Ref:
"Optimal Design of Protein Docking Potentials: Efficiency and
Limitations"Dror Tobi & Ivet Bahar. Proteins: Structure,
Function, and Bioinformatics 62, 970-981, 2006 . |