1983 - Fellow of the American Association for the Advancement of Science (AAAS)
His main research concerns Docking, Stereochemistry, DOCK, Computational chemistry and Small molecule. Irwin D. Kuntz has researched Docking in several fields, including Force field, Crystal structure and Binding site. His work on Intramolecular force as part of his general Stereochemistry study is frequently connected to Ligand, thereby bridging the divide between different branches of science.
His DOCK study integrates concerns from other disciplines, such as Test set and Active site. His Computational chemistry research integrates issues from Protein structure, Solvation, Ligand efficiency and Nucleic acid. His research investigates the connection between Lead Finder and topics such as Scoring functions for docking that intersect with problems in Grid, Drug discovery, Computational biology and Molecular recognition.
Irwin D. Kuntz mainly focuses on Stereochemistry, Biochemistry, Docking, Crystallography and Protein structure. The concepts of his Stereochemistry study are interwoven with issues in Trypsin, Active site, Receptor, Structure–activity relationship and Peptide. His studies in Docking integrate themes in fields like Computational biology, DOCK and Binding site.
As a member of one scientific family, Irwin D. Kuntz mostly works in the field of Binding site, focusing on Macromolecule and, on occasion, Computational chemistry. His work deals with themes such as Protein tertiary structure, Protein secondary structure, Molecular dynamics, Nuclear magnetic resonance spectroscopy and Statistical physics, which intersect with Crystallography. Irwin D. Kuntz has included themes like Ligand, Crystal structure and Protein folding in his Protein structure study.
Irwin D. Kuntz mostly deals with Biochemistry, Docking, Stereochemistry, Computational chemistry and Binding site. His study in Docking is interdisciplinary in nature, drawing from both Nanotechnology and Computational biology. Irwin D. Kuntz works mostly in the field of Stereochemistry, limiting it down to topics relating to Active site and, in certain cases, Plasma protein binding, Organic molecules, Amidase and Amidase activity, as a part of the same area of interest.
His studies deal with areas such as Solvation, Macromolecule, Statistical physics and DOCK as well as Computational chemistry. The DOCK study combines topics in areas such as Force field, Nucleic acid and Test set. The various areas that Irwin D. Kuntz examines in his Binding site study include Consensus sequence, Molecular model and Small molecule.
The scientist’s investigation covers issues in Docking, Computational chemistry, Biochemistry, Binding energy and DOCK. His primary area of study in Docking is in the field of Lead Finder. His Computational chemistry study combines topics in areas such as Chemical physics, Macromolecule, Work and Small molecule.
The study incorporates disciplines such as van der Waals force, Molecular dynamics and Ligand in addition to Binding energy. In his study, DNA damage and Design synthesis is inextricably linked to Stereochemistry, which falls within the broad field of Ligand. Within one scientific family, Irwin D. Kuntz focuses on topics pertaining to Test set under DOCK, and may sometimes address concerns connected to Modular design, Extensibility, Algorithm and Simulation.
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A geometric approach to macromolecule-ligand interactions
Irwin D. Kuntz;Jeffrey M. Blaney;Stuart J. Oatley;Robert Langridge.
Journal of Molecular Biology (1982)
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.
Journal of Computer-aided Molecular Design (2001)
Hydration of Proteins and Polypeptides
I.D. Kuntz;W. Kauzmann.
Advances in Protein Chemistry (1974)
Structure-based strategies for drug design and discovery.
Irwin D. Kuntz.
Automated docking with grid-based energy evaluation
Elaine C. Meng;Brian K. Shoichet;Irwin D. Kuntz.
Journal of Computational Chemistry (1992)
The maximal affinity of ligands
I. D. Kuntz;K. Chen;K. A. Sharp;P. A. Kollman.
Proceedings of the National Academy of Sciences of the United States of America (1999)
Molecular Recognition and Docking Algorithms
Natasja Brooijmans;Irwin D. Kuntz.
Annual Review of Biophysics and Biomolecular Structure (2003)
Critical evaluation of search algorithms for automated molecular docking and database screening
Todd J. A. Ewing;Irwin D. Kuntz.
Journal of Computational Chemistry (1997)
DOCK 6: Combining techniques to model RNA–small molecule complexes
P. Therese Lang;Scott R. Brozell;Sudipto Mukherjee;Eric F. Pettersen.
Hydration of macromolecules. III. Hydration of polypeptides
Irwin D. Kuntz.
Journal of the American Chemical Society (1971)
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