Irwin D. Kuntz

According to our database, Irwin D. Kuntz authored at least 19 papers between 1992 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2015

DOCK 6: Impact of new features and current docking performance.

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

J. Comput. Chem., 2015

2012

Darwinian Docking.

Irwin D. Kuntz

J. Comput. Aided Mol. Des., 2012

2006

Development and validation of a modular, extensible docking program: DOCK 5.

Demetri Moustakas, P. Therese Lang, Scott C.-H. Pegg, Eric Pettersen, Irwin D. Kuntz, Natasja Brooijmans, Robert C. Rizzo

J. Comput. Aided Mol. Des., 2006

2004

SitePrint: Three-Dimensional Pharmacophore Descriptors Derived from Protein Binding Sites for Family Based Active Site Analysis, Classification, and Drug Design.

James R. Arnold, Keith W. Burdick, Scott C.-H. Pegg, Samuel Toba, Michelle L. Lamb, Irwin D. Kuntz

J. Chem. Inf. Model., 2004

2003

Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9.

Lillian T. Chong, Pradipta Bandyopadhyay, Thomas S. Scanlan, Irwin D. Kuntz, Peter A. Kollman

J. Comput. Chem., 2003

2001

A genetic algorithm for structure-based de novo design.

Scott C.-H. Pegg, Jose J. Haresco, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 2001

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases.

Todd J. A. Ewing, Shingo Makino, A. Geoffrey Skillman, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 2001

2000

High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry.

Malin M. Young, Ning Tang, Judith C. Hempel, Connie M. Oshiro, Eric W. Taylor, Irwin D. Kuntz, Bradford W. Gibson, Gavin Dollinger

Proc. Natl. Acad. Sci. USA, 2000

1999

DREAM++: Flexible docking program for virtual combinatorial libraries.

Shingo Makino, Todd J. A. Ewing, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1999

1998

ELECT++: Faster conformational search method for docking flexible molecules using molecular similarity.

Shingo Makino, Irwin D. Kuntz

J. Comput. Chem., 1998

1997

Critical evaluation of search algorithms for automated molecular docking and database screening.

Todd J. A. Ewing, Irwin D. Kuntz

J. Comput. Chem., 1997

1996

Orientational sampling and rigid-body minimization in molecular docking revisited: On-the-fly optimization and degeneracy removal.

Daniel A. Gschwend, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1996

1995

BUILDER v.2: Improving the chemistry of a de novo design strategy.

Diana C. Roe, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1995

Flexible ligand docking using a genetic algorithm.

Connie M. Oshiro, Irwin D. Kuntz, J. Scott Dixon

J. Comput. Aided Mol. Des., 1995

Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors.

Andrew C. Good, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1995

New molecular shape descriptors: Application in database screening.

Andrew C. Good, Todd J. A. Ewing, Daniel A. Gschwend, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1995

1994

Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities.

Elaine C. Meng, Irwin D. Kuntz, Donald J. Abraham, Glen Eugene Kellogg

J. Comput. Aided Mol. Des., 1994

Finding potential DNA-binding compounds by using molecular shape.

Peter D. J. Grootenhuis, Diana C. Roe, Peter A. Kollman, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1994

1992

A fast and efficient method for 2D and 3D molecular shape description.

Guy W. Bemis, Irwin D. Kuntz

J. Comput. Aided Mol. Des., 1992