Irwin D. Kuntz

2004
14	EE	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. Journal of Chemical Information and Modeling 44(6): 2190-2198 (2004)
2003
13	EE	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. Journal of Computational Chemistry 24(12): 1371-1377 (2003)
2001
12	EE	Scott 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)
11	EE	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. Journal of Computer-Aided Molecular Design 15(5): 411-428 (2001)
1999
10	EE	Shingo 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
9	EE	Shingo 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
8	EE	Todd 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

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

Colors in the list of coauthors