FRED Publications
Featured Publications
- FRED Pose Prediction and Virtual Screening Accuracy, M. McGann. J. Chem. Inf. Model., 2011
- A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening, S.L. Swann, S.P. Brown, S.W. Muchmore, H. Patel, P. Merta, J. Locklear and P.J. Hajduk. J. Med. Chem., 2011
- Comparison of Topological, Shape, and Docking Methods in Virtual Screening, G.B. McGaughey, R.P. Sheridan, C.I. Bayly, J.C. Culberson, C. Kreatsoulas, S. Lindsley, V. Maiorov, J.-F. Truchon and W.D. Cornell. J. Chem. Inf. Model., 2007, 47 (4), pp 1504-1519
- Gaussian docking functions, M.R. McGann, H.R. Almond, A. Nicholls, J.A. Grant and F.K. Brown. Biopolymers, 2003, 68 (1), pp 76-90
Publications by Date
- FRED Pose Prediction and Virtual Screening Accuracy, M. McGann. J. Chem. Inf. Model., 2011
- A Unified, Probabilistic Framework for Structure- and Ligand-Based Virtual Screening, S.L. Swann, S.P. Brown, S.W. Muchmore, H. Patel, P. Merta, J. Locklear and P.J. Hajduk. J. Med. Chem., 2011
- Comparison of Topological, Shape, and Docking Methods in Virtual Screening, G.B. McGaughey, R.P. Sheridan, C.I. Bayly, J.C. Culberson, C. Kreatsoulas, S. Lindsley, V. Maiorov, J.-F. Truchon and W.D. Cornell. J. Chem. Inf. Model., 2007, 47 (4), pp 1504-1519
- A Critical Assessment of Docking Programs and Scoring Functions, G.L. Warren, C.W. Andrews, A.-M. Cappeli, B. Clarke, J. LaLonde, M.H. Lambert, M. Lindval, N. Nevins, S.F. Semus, S. Senger, G. Tedesco, I.D. Wall, J.M. Woolven, C.E. Peishoff and M.S. Head.J. Med Chem., 2006, 49 (20), pp 5912-5931
- Comparative Evaluation of Eight Docking Tools for Docking and Virtual Screening Accuracy, E. Kellenberger, J. Rodrigo, P. Muller, and D. Rognan. Proteins: Structure, Function, and Bioinformatics, 2004, 57, pp 225-242
- Binding site characteristics in structure-based virtual screening: evaluation of current docking tools, T. Schulz-Gasch and M. Stahl. J. Mol. Model., 2003, 9 (1), pp 47-57
- Gaussian docking functions, M.R. McGann, H.R. Almond, A. Nicholls, J.A. Grant and F.K. Brown. Biopolymers, 2003, 68 (1), pp 76-90
