Michael J. Best,et al. Active set algorithms for isotonic regression; A unifying framework , 1990, Math. Program..
 R. Laskowski. SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions. , 1995, Journal of molecular graphics.
 M. Swindells,et al. Protein clefts in molecular recognition and function. , 1996, Protein science : a publication of the Protein Society.
 Andrew P. Bradley,et al. The use of the area under the ROC curve in the evaluation of machine learning algorithms , 1997, Pattern Recognit..
 C. Enroth,et al. The crystal structure of phenol hydroxylase in complex with FAD and phenol provides evidence for a concerted conformational change in the enzyme and its cofactor during catalysis. , 1998, Structure.
 H. Edelsbrunner,et al. Anatomy of protein pockets and cavities: Measurement of binding site geometry and implications for ligand design , 1998, Protein science : a publication of the Protein Society.
 M. Ondrechen,et al. THEMATICS: A simple computational predictor of enzyme function from structure , 2001, Proceedings of the National Academy of Sciences of the United States of America.
 A. Elcock. Prediction of functionally important residues based solely on the computed energetics of protein structure. , 2001, Journal of molecular biology.
 Gail J. Bartlett,et al. Analysis of catalytic residues in enzyme active sites. , 2002, Journal of molecular biology.
 Gail J. Bartlett,et al. Using a neural network and spatial clustering to predict the location of active sites in enzymes. , 2003, Journal of molecular biology.
 Karl H. Clodfelter,et al. Identification of substrate binding sites in enzymes by computational solvent mapping. , 2003, Journal of molecular biology.
 K. Nishikawa,et al. Prediction of catalytic residues in enzymes based on known tertiary structure, stability profile, and sequence conservation. , 2003, Journal of molecular biology.
 Jie Liang,et al. CASTp: Computed Atlas of Surface Topography of proteins , 2003, Nucleic Acids Res..
 Tal Pupko,et al. ConSurf: Identification of Functional Regions in Proteins by Surface-Mapping of Phylogenetic Information , 2003, Bioinform..
 H. Wolfson,et al. Recognition of Functional Sites in Protein Structures☆ , 2004, Journal of Molecular Biology.
 Ying Wei,et al. Physicochemical Methods for Prediction of Functional Information for Proteins , 2004 .
 Pedro M. Domingos,et al. On the Optimality of the Simple Bayesian Classifier under Zero-One Loss , 1997, Machine Learning.
 Janet M. Thornton,et al. The Catalytic Site Atlas: a resource of catalytic sites and residues identified in enzymes using structural data , 2004, Nucleic Acids Res..
 Gil Amitai,et al. Network analysis of protein structures identifies functional residues. , 2004, Journal of molecular biology.
 R. Edgar. MUSCLE: multiple sequence alignment with high accuracy and high throughput. , 2004, Nucleic acids research.
 R. Greaves,et al. Active site identification through geometry-based and sequence profile-based calculations: burial of catalytic clefts. , 2005, Journal of molecular biology.
 D. Baker,et al. Improvement in protein functional site prediction by distinguishing structural and functional constraints on protein family evolution using computational design , 2005, Nucleic acids research.
 Ying Wei,et al. Selective prediction of interaction sites in protein structures with THEMATICS , 2007, BMC Bioinformatics.
 Cathy H. Wu,et al. Prediction of catalytic residues using Support Vector Machine with selected protein sequence and structural properties , 2006, BMC Bioinformatics.
 Philip E. Bourne,et al. A robust and efficient algorithm for the shape description of protein structures and its application in predicting ligand binding sites , 2007, BMC Bioinformatics.
 P. Radivojac,et al. Evaluation of features for catalytic residue prediction in novel folds , 2006, Protein science : a publication of the Protein Society.
 Judith D. Cohn,et al. Fast dynamics perturbation analysis for prediction of protein functional sites , 2008, BMC Structural Biology.
 Ronald J. Williams,et al. Enhanced performance in prediction of protein active sites with THEMATICS and support vector machines , 2008, Protein science : a publication of the Protein Society.