Predicting protein structures using geometry neural networks to estimate the similarity between predicted protein structures and real protein structures

摘要

A method, system and apparatus comprising a computer program encoded to a computer storage medium for performing a protein structure prediction.In one aspect,How toIn each of one or more iterationsDetermining an alternative predictive structure for a given protein defined by an alternative value of structural parameters andUsing geometry neural networksExpression of amino acid residues in a given proteinAnd (II) processing network inputs with alternative values of structural parametersComprising an alternative predictive structure of a given protein and a step of generating an output characterizing an alternative geometry score which is an estimate of a similarity measure between an actual structure.