Active site prediction using evolutionary and structural information

  title={Active site prediction using evolutionary and structural information},
  author={Sriram Sankararaman and Fei Sha and Jack F. Kirsch and Michael I. Jordan and Kimmen Sj{\"o}lander},
MOTIVATION The identification of catalytic residues is a key step in understanding the function of enzymes. While a variety of computational methods have been developed for this task, accuracies have remained fairly low. The best existing method exploits information from sequence and structure to achieve a precision (the fraction of predicted catalytic residues that are catalytic) of 18.5% at a corresponding recall (the fraction of catalytic residues identified) of 57% on a standard benchmark… CONTINUE READING


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