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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases
- T. Ewing, S. Makino, A. Skillman, I. Kuntz
- ChemistryJ. Comput. Aided Mol. Des.
- 1 May 2001
TLDR
A geometric approach to macromolecule-ligand interactions.
- I. Kuntz, J. Blaney, S. Oatley, R. Langridge, T. Ferrin
- ChemistryJournal of molecular biology
- 25 October 1982
Automated docking with grid‐based energy evaluation
- E. Meng, B. Shoichet, I. Kuntz
- Chemistry
- 1 May 1992
The ability to generate feasible binding orientations of a small molecule within a site of known structure is important for ligand design. We present a method that combines a rapid, geometric docking…
Development and validation of a modular, extensible docking program: DOCK 5
- D. Moustakas, P. T. Lang, R. Rizzo
- EngineeringJ. Comput. Aided Mol. Des.
- 6 December 2006
TLDR
DOCK 6: Impact of new features and current docking performance
- W. J. Allen, T. E. Balius, R. Rizzo
- Computer ScienceJ. Comput. Chem.
- 5 June 2015
This manuscript presents the latest algorithmic and methodological developments to the structure‐based design program DOCK 6.7 focused on an updated internal energy function, new anchor selection…
DOCK 6: combining techniques to model RNA-small molecule complexes.
- P. T. Lang, S. R. Brozell, I. Kuntz
- Chemistry, BiologyRNA
- 1 June 2009
TLDR
Structure-Based Strategies for Drug Design and Discovery
- I. Kuntz
- BiologyScience
- 21 August 1992
TLDR
Molecular recognition and docking algorithms.
- N. Brooijmans, I. Kuntz
- Biology, ChemistryAnnual review of biophysics and biomolecular…
- 28 November 2003
TLDR
Critical evaluation of search algorithms for automated molecular docking and database screening
TLDR
The maximal affinity of ligands.
- I. Kuntz, K. Chen, K. Sharp, P. Kollman
- Chemistry, BiologyProceedings of the National Academy of Sciences…
- 31 August 1999
TLDR
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