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ORCIDIrwin D. Kuntz
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Journal Articles
- 2015
[j19]William J. Allen, Trent E. Balius
, Sudipto Mukherjee, Scott R. Brozell, Demetri Moustakas, P. Therese Lang, David A. Case, Irwin D. Kuntz, Robert C. Rizzo:
DOCK 6: Impact of new features and current docking performance. J. Comput. Chem. 36(15): 1132-1156 (2015)- 2012
- [j18]Irwin D. Kuntz:
Darwinian Docking. J. Comput. Aided Mol. Des. 26(1): 73-75 (2012) - 2006
- [j17]Demetri Moustakas, P. Therese Lang, Scott C.-H. Pegg, Eric Pettersen, Irwin D. Kuntz, Natasja Brooijmans, Robert C. Rizzo:
Development and validation of a modular, extensible docking program: DOCK 5. J. Comput. Aided Mol. Des. 20(10-11): 601-619 (2006) - 2004
- [j16]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. J. Chem. Inf. Model. 44(6): 2190-2198 (2004) - 2003
- [j15]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. J. Comput. Chem. 24(12): 1371-1377 (2003) - 2001
- [j14]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. J. Comput. Aided Mol. Des. 15(5): 411-428 (2001) - [j13]Scott C.-H. Pegg, Jose J. Haresco, Irwin D. Kuntz:
A genetic algorithm for structure-based de novo design. J. Comput. Aided Mol. Des. 15(10): 911-933 (2001) - 2000
- [j12]Malin M. Young, Ning Tang, Judith C. Hempel, Connie M. Oshiro, Eric W. Taylor, Irwin D. Kuntz, Bradford W. Gibson, Gavin Dollinger:
High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry. Proc. Natl. Acad. Sci. USA 97(11): 5802-5806 (2000) - 1999
- [j11]Shingo Makino, Todd J. A. Ewing, Irwin D. Kuntz:
DREAM++: Flexible docking program for virtual combinatorial libraries. J. Comput. Aided Mol. Des. 13(5): 513-532 (1999) - 1998
- [j10]Shingo Makino, Irwin D. Kuntz:
ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity. J. Comput. Chem. 19(16): 1834-1852 (1998) - 1997
- [j9]Todd J. A. Ewing, Irwin D. Kuntz:
Critical evaluation of search algorithms for automated molecular docking and database screening. J. Comput. Chem. 18(9): 1175-1189 (1997) - 1996
- [j8]Daniel A. Gschwend, Irwin D. Kuntz:
Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal. J. Comput. Aided Mol. Des. 10(2): 123-132 (1996) - 1995
- [j7]Andrew C. Good, Todd J. A. Ewing, Daniel A. Gschwend, Irwin D. Kuntz:
New molecular shape descriptors: Application in database screening. J. Comput. Aided Mol. Des. 9(1): 1-12 (1995) - [j6]Connie M. Oshiro, Irwin D. Kuntz, J. Scott Dixon:
Flexible ligand docking using a genetic algorithm. J. Comput. Aided Mol. Des. 9(2): 113-130 (1995) - [j5]Diana C. Roe, Irwin D. Kuntz:
BUILDER v.2: Improving the chemistry of a de novo design strategy. J. Comput. Aided Mol. Des. 9(3): 269-282 (1995) - [j4]Andrew C. Good, Irwin D. Kuntz:
Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors. J. Comput. Aided Mol. Des. 9(4): 373-379 (1995) - 1994
- [j3]Elaine C. Meng, Irwin D. Kuntz, Donald J. Abraham, Glen Eugene Kellogg:
Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. J. Comput. Aided Mol. Des. 8(3): 299-306 (1994) - [j2]Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz:
Finding potential DNA-binding compounds by using molecular shape. J. Comput. Aided Mol. Des. 8(6): 731-750 (1994) - 1992
- [j1]Guy W. Bemis, Irwin D. Kuntz:
A fast and efficient method for 2D and 3D molecular shape description. J. Comput. Aided Mol. Des. 6(6): 607-628 (1992)
Coauthor Index
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