OMEGA Publications
Featured Publications
- Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database, Paul C.D. Hawkins, A. Geoffrey Skillman, Gregory L. Warren, Benjamin A. Ellingson, and Matthew T. Stahl. J. Chem. Inf. Model., 2010, 50 (4), pp 572-584
- Assessing the performance of OMEGA with respect to retrieving bioactive conformations, J. Boström, J.R. Greenwood, J. Gottfries. J. Mol. Graphics and Mod. 2003, 21, pp 449-462.
- Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding, E. Perola and P.S. Charifson. J. Med. Chem. 2004, 47, pp 2499-2510.
- Comparison of Comformational Analysis Techniques to Generate Pharmacophore Hypotheses Using Catalyst, R. Kristam, V.J. Gillet, R.A. Lewis and D. Thorner. J. Chem. Inf. Model. 2005, 45 (2), pp 461-476.
Publications by Date
- Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database, Paul C.D. Hawkins, A. Geoffrey Skillman, Gregory L. Warren, Benjamin A. Ellingson, and Matthew T. Stahl. J. Chem. Inf. Model., 2010, 50 (4), pp 572-584
- Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey of the Retrieval of Protein-Bound Ligand Conformations, J. Kirchmair, G. Wolber, C. Laggner and T. Langer. J. Chem. Info. Model, 2006, 46 (4), pp 1848-1861.
- Comparison of Comformational Analysis Techniques to Generate Pharmacophore Hypotheses Using Catalyst, R. Kristam, V.J. Gillet, R.A. Lewis and D. Thorner. J. Chem. Inf. Model. 2005, 45 (2), pp 461-476.
- Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding, E. Perola and P.S. Charifson. J. Med. Chem. 2004, 47, pp 2499-2510.
- CORES: An Automated Method for Generating Three-Dimensional Models of Protein/Ligand Complexes, B.J. Hare, W.P. Walters, P.R. Caron and G.W. Bemis. J. Med. Chem. 2004, 47, pp 4731-4740.
- Assessing the performance of OMEGA with respect to retrieving bioactive conformations, J. Boström, J.R. Greenwood, J. Gottfries. J. Mol. Graphics and Mod. 2003, 21, pp 449-462.
- Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools, J. Bostrom. J. Comp.-Aid. Mol. Design. 2001, 15, 1137.
