Patent Document ID: 9830422
Application ID: 14337751
Patent Flag: 1

Claim One:
1. A computerized method carried out by at least one server having at least one processor for utilizing protein structural information to superimpose multiple protein structures, the method comprising: selecting a stationary template protein; testing, using the at least one processor, a set of input mobile proteins against the template protein by rotating and translating each mobile protein relative to the template protein in a three-dimensional (3D) coordinate space by a predefined distance and predefined angle to generate a set of pseudostates for the each mobile protein; scoring the set of pseudostates based on a statistical likelihood of superimposing on the template protein; retaining as a subset of the set of pseudostates those pseudostates having scores above a predefined threshold; iteratively optimizing and refining the subset of pseudostates for each mobile protein by incrementally decreasing the translational and rotational coordinates until a predefined lower limit is reached to generate successive subsets of pseudostates, wherein low-scoring pseudostates are eliminated after each iteration; subsequent to this step, selecting as a new template protein a pseudostate having the least mean center error distance (MCED) as compared to the remaining pseudostates; testing the remaining pseudostates against the new template protein with the translational and rotational coordinates being limited as a function of the each pseudostate's respective MCED such that the remaining pseudostates converge towards their lower MCED; and retaining as the each mobile protein's final structural alignment, the pseudostate having the highest statistical likelihood of superimposing on the new template protein.