Using physical features of protein core packing to distinguish real proteins from decoys.

ABSTRACT: The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved problem. One route to distinguish real protein structures from decoys is to delineate the important physical features that specify a real protein. For example, it has long been appreciated that the hydrophobic cores of proteins contribute significantly to their stability. We used two sources to obtain datasets of decoys to compare with real protein structures: submissions to the biennial Critical Assessment of protein Structure Prediction competition, in which researchers attempt to predict the structure of a protein only knowing its amino acid sequence, and also decoys generated by 3DRobot, which have user-specified global root-mean-squared deviations from experi

SUBMITTER: Grigas AT 

PROVIDER: S-EPMC7454528 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature