Irwin D. Kuntz

Publication Activity (10 Years)

Years Active: 1992-2015
Publications (10 Years): 1

Top Topics

Structural Information

Evolutionary Algorithm

Top Venues

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

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) (2015)
Irwin D. Kuntz
Darwinian Docking. J. Comput. Aided Mol. Des. 26 (1) (2012)
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) (2006)
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) (2004)
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) (2003)
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) (2001)
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) (2001)
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) (2000)
Shingo Makino, Todd J. A. Ewing, Irwin D. Kuntz
DREAM++: Flexible docking program for virtual combinatorial libraries. J. Comput. Aided Mol. Des. 13 (5) (1999)
Shingo Makino, Irwin D. Kuntz
ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity. J. Comput. Chem. 19 (16) (1998)
Todd J. A. Ewing, Irwin D. Kuntz
Critical evaluation of search algorithms for automated molecular docking and database screening. J. Comput. Chem. 18 (9) (1997)
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) (1996)
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) (1995)
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) (1995)
Connie M. Oshiro, Irwin D. Kuntz, J. Scott Dixon
Flexible ligand docking using a genetic algorithm. J. Comput. Aided Mol. Des. 9 (2) (1995)
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) (1995)
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) (1994)
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) (1994)
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) (1992)