Glide References

1.

Eldridge, M. D.; Murray, C. W.; Auton., T. R.; Paolini, G. V.; Mee, R. P. Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes. J. Comput.-Aided Mol. Des. 1997, 11, 425–445.

2.

Maggiora, G. M.; Johnson, M. A. Concepts and Applications of Molecular Similarity. Wiley & Sons: New York, 1990, pp 99–117.

3.

Moreau, G.; Broto, P. The Autocorrelation of a Topological Structure: A New Molecular Descriptor. Nouv. J. Chim. 1980, 4, 359–360.

4.

Carhart, R. E.; Smith, D. H.; Venkataraghavan, R. Atom Pairs as Molecular Features in Structure-Activity Studies: Definitions and Applications. J. Chem. Inf. Comput. Sci. 1985, 25, 65–73.

5.

Wagener, M.; Sadowski, J.; Gasteiger, J. Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks. J. Am. Chem. Soc. 1995, 117, 7769–7775.

6.

Sheridan, R. P.; Miller, M. D.; Underwood, D. J.; Kearsley, S. K. Chemical Similarity Using Geometric Atom Pair Descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 128–136.

7.

Kearsley, S. K.; Sallmack, S.; Fluder, E. M.; Andose, J. D.; Mosley, R. T.; Sheridan, R. P. Chemical Similarity Using Physicochemical Property Descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 118–127.

8.

Pearlman, R. S.; Smith, K. M. Novel Software Tools for Chemical Diversity. Perspectives Drug Discovery Design 1998, 9, 339–353.

9.

Friesner, R. A.; Banks, J. L.; Murphy, R. B.; Halgren, T. A.; Klicic, J. J.; Mainz, D. T.; Repasky, M. P.; Knoll, E. H.; Shaw, D. E.; Shelley, M.; Perry, J. K.; Francis, P.; Shenkin, P. S. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy, J. Med. Chem. 2004, 47, 1739–1749.

10.

Halgren, T. A.; Murphy, R. B.; Friesner, R. A.; Beard, H. S.; Frye, L. L.; Pollard, W. T.; Banks, J. L. Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening. J. Med. Chem. 2004, 47, 1750–1759.

11.

Friesner, R. A.; Murphy, R. B.; Repasky, M. P.; Frye, L. L.; Greenwood, J. R.; Halgren, T. A.; Sanschagrin, P. C.; Mainz, D. T. Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein-Ligand Complexes. J. Med. Chem. 2006, 49, 6177–6196.