“Our machine learning methodology, partial order optimum likelihood (POOL) is used to predict biochemically active amino acids in the three-dimensional structures of proteins. Computed electrostatic and chemical properties of individual amino acids serve as input features. Our most recent applications of POOL are described. From predicted local sites of biochemical activity, the biochemical functions of structural genomics proteins of unknown function are predicted by local structure matching of predicted spatial arrays of active amino acids with those of proteins of known function.”

Find the paper and full list of authors in Biophysical Journal.