Irwin D. Kuntz

19 papers Journal 19

Year	Rank	Type	Title / Venue / Authors
2015	J	`jnl`	DOCK 6: Impact of new features and current docking performance. J. Comput. Chem. 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
2012	J	`jnl`	Darwinian Docking. J. Comput. Aided Mol. Des. Irwin D. Kuntz
2006	J	`jnl`	Development and validation of a modular, extensible docking program: DOCK 5. J. Comput. Aided Mol. Des. Demetri Moustakas, P. Therese Lang, Scott C.-H. Pegg, Eric Pettersen, Irwin D. Kuntz, Natasja Brooijmans, Robert C. Rizzo
2004	J	`jnl`	SitePrint: Three-Dimensional Pharmacophore Descriptors Derived from Protein Binding Sites for Family Based Active Site Analysis, Classification, and Drug Design. J. Chem. Inf. Model. James R. Arnold, Keith W. Burdick, Scott C.-H. Pegg, Samuel Toba, Michelle L. Lamb, Irwin D. Kuntz
2003	J	`jnl`	Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9. J. Comput. Chem. Lillian T. Chong, Pradipta Bandyopadhyay, Thomas S. Scanlan, Irwin D. Kuntz, Peter A. Kollman
2001	J	`jnl`	A genetic algorithm for structure-based de novo design. J. Comput. Aided Mol. Des. Scott C.-H. Pegg, Jose J. Haresco, Irwin D. Kuntz
2001	J	`jnl`	DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases. J. Comput. Aided Mol. Des. Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz
2000	J	`jnl`	High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry. Proc. Natl. Acad. Sci. USA Malin M. Young, Ning Tang, Judith C. Hempel, Connie M. Oshiro, Eric W. Taylor, Irwin D. Kuntz, Bradford W. Gibson, Gavin Dollinger
1999	J	`jnl`	DREAM++: Flexible docking program for virtual combinatorial libraries. J. Comput. Aided Mol. Des. Shingo Makino, Todd J. A. Ewing, Irwin D. Kuntz
1998	J	`jnl`	ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity. J. Comput. Chem. Shingo Makino, Irwin D. Kuntz
1997	J	`jnl`	Critical evaluation of search algorithms for automated molecular docking and database screening. J. Comput. Chem. Todd J. A. Ewing, Irwin D. Kuntz
1996	J	`jnl`	Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal. J. Comput. Aided Mol. Des. Daniel A. Gschwend, Irwin D. Kuntz
1995	J	`jnl`	BUILDER v.2: Improving the chemistry of a de novo design strategy. J. Comput. Aided Mol. Des. Diana C. Roe, Irwin D. Kuntz
1995	J	`jnl`	Flexible ligand docking using a genetic algorithm. J. Comput. Aided Mol. Des. Connie M. Oshiro, Irwin D. Kuntz, J. Scott Dixon
1995	J	`jnl`	Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors. J. Comput. Aided Mol. Des. Andrew C. Good, Irwin D. Kuntz
1995	J	`jnl`	New molecular shape descriptors: Application in database screening. J. Comput. Aided Mol. Des. Andrew C. Good, Todd J. A. Ewing, Daniel A. Gschwend, Irwin D. Kuntz
1994	J	`jnl`	Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities. J. Comput. Aided Mol. Des. Elaine C. Meng, Irwin D. Kuntz, Donald J. Abraham, Glen Eugene Kellogg
1994	J	`jnl`	Finding potential DNA-binding compounds by using molecular shape. J. Comput. Aided Mol. Des. Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz
1992	J	`jnl`	A fast and efficient method for 2D and 3D molecular shape description. J. Comput. Aided Mol. Des. Guy W. Bemis, Irwin D. Kuntz