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Irwin D. Kuntz

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

Coauthor Index

1Donald J. Abraham [3]
2James R. Arnold [14]
3Pradipta Bandyopadhyay [13]
4Guy W. Bemis [1]
5Keith W. Burdick [14]
6Lillian T. Chong [13]
7Todd J. A. Ewing [6] [8] [10] [11]
8Andrew C. Good [4] [6]
9Peter D. J. Grootenhuis [2]
10Daniel A. Gschwend [6] [7]
11Jose J. Haresco [12]
12Glen Eugene Kellogg [3]
13Peter A. Kollman [2] [13]
14Michelle L. Lamb [14]
15Shingo Makino [9] [10] [11]
16Elaine C. Meng [3]
17Scott C.-H. Pegg [12] [14]
18Diana C. Roe [2] [5]
19Thomas S. Scanlan [13]
20A. Geoffrey Skillman [11]
21Samuel Toba [14]

Colors in the list of coauthors

Copyright © Sun May 17 03:24:02 2009 by Michael Ley (ley@uni-trier.de)