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Publications of Author

1. Guy W. Bemis, Irwin D. Kuntz
   A fast and efficient method for 2D and 3D molecular shape description. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1992, v:6, n:6, pp:607-628 [Journal]
   
2. Andrew C. Good, Todd J. A. Ewing, Daniel A. Gschwend, Irwin D. Kuntz
   New molecular shape descriptors: Application in database screening. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1995, v:9, n:1, pp:1-12 [Journal]
   
3. Andrew C. Good, Irwin D. Kuntz
   Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1995, v:9, n:4, pp:373-379 [Journal]
   
4. Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz
   Finding potential DNA-binding compounds by using molecular shape. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1994, v:8, n:6, pp:731-750 [Journal]
   
5. Daniel A. Gschwend, Irwin D. Kuntz
   Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1996, v:10, n:2, pp:123-132 [Journal]
   
6. Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz
   DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2001, v:15, n:5, pp:411-428 [Journal]
   
7. Shingo Makino, Todd J. A. Ewing, Irwin D. Kuntz
   DREAM++: Flexible docking program for virtual combinatorial libraries. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1999, v:13, n:5, pp:513-532 [Journal]
   
8. Elaine C. Meng, Irwin D. Kuntz, Donald J. Abraham, Glen Eugene Kellogg
   Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 1994, v:8, n:3, pp:299-306 [Journal]
   
9. Scott C.-H. Pegg, Jose J. Haresco, Irwin D. Kuntz
   A genetic algorithm for structure-based de novo design. [Citation Graph (0, 0)][DBLP]
   Journal of Computer-Aided Molecular Design, 2001, v:15, n:10, pp:911-933 [Journal]
   
10. Diana C. Roe, Irwin D. Kuntz
    BUILDER v.2: Improving the chemistry of a de novo design strategy. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1995, v:9, n:3, pp:269-282 [Journal]
    
11. Lillian T. Chong, Pradipta Bandyopadhyay, Thomas S. Scanlan, Irwin D. Kuntz, Peter A. Kollman
    Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:12, pp:1371-1377 [Journal]
    
12. Todd J. A. Ewing, Irwin D. Kuntz
    Critical evaluation of search algorithms for automated molecular docking and database screening. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:9, pp:1175-1189 [Journal]
    
13. Shingo Makino, Irwin D. Kuntz
    ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:16, pp:1834-1852 [Journal]
    
14. James R. Arnold, Keith W. Burdick, Scott C.-H. Pegg, Samuel Toba, Michelle L. Lamb, Irwin D. Kuntz
    SitePrint: Three-Dimensional Pharmacophore Descriptors Derived from Protein Binding Sites for Family Based Active Site Analysis, Classification, and Drug Design. [Citation Graph (0, 0)][DBLP]
    Journal of Chemical Information and Modeling, 2004, v:44, n:6, pp:2190-2198 [Journal]