Automatic prediction of catalytic residues by modeling residue structural neighborhood |
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Authors: | Elisa Cilia Andrea Passerini |
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Institution: | (1) Information Engineering and Computer Science Department, via Sommarive 14, I38100 (Povo), Trento, Italy |
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Abstract: | Background Prediction of catalytic residues is a major step in characterizing the function of enzymes. In its simpler formulation, the
problem can be cast into a binary classification task at the residue level, by predicting whether the residue is directly
involved in the catalytic process. The task is quite hard also when structural information is available, due to the rather
wide range of roles a functional residue can play and to the large imbalance between the number of catalytic and non-catalytic
residues. |
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Keywords: | |
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