Thomas A. Halgren
Impact in
- Computational Theory and Mathematics top 0.01%
- Computational Drug Discovery Methods
- Organic Chemistry top 0.05%
- Synthesis and biological activity
- Click Chemistry and Applications
Papers in
-
- Advanced Chemical Physics Studies 17
- Spectroscopy and Quantum Chemical Studies 12
-
- Crystallography and molecular interactions 9
- Co-authors
- Richard A. Friesner (7 shared papers)Robert B. Murphy (6 shared papers)Matthew P. Repasky (3 shared papers)Daniel T. Mainz (3 shared papers)Leah L. Frye (2 shared papers)Jay L. Banks (3 shared papers)William N. Lipscomb (21 shared papers)Paul C. Sanschagrin (1 shared paper)
- Journals
- Journal of Computational Chemistry (17 papers)Journal of the American Chemical Society (15 papers)Journal of Medicinal Chemistry (7 papers)Proceedings of the National Academy of Sciences (3 papers)Inorganic Chemistry (3 papers)
- Partner nations
- United StatesCanada
In The Last Decade
Thomas A. Halgren
64 papers receiving 33.6k citations
Thomas A. Halgren's Hit Papers
Peers
Comparison fields: 5 of 182
- Computational Theory and Mathematics 9.1k
- Organic Chemistry 8.2k
- Molecular Biology 17.3k
- Toxicology 777
- Pharmacology 3.0k
Countries citing papers authored by Thomas A. Halgren
This map shows the geographic impact of Thomas A. Halgren's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Thomas A. Halgren with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Thomas A. Halgren more than expected).
Fields of papers citing papers by Thomas A. Halgren
This network shows the impact of papers produced by Thomas A. Halgren. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Thomas A. Halgren. The network helps show where Thomas A. Halgren may publish in the future.
Co-authors
The 25 scholars most cited alongside Thomas A. Halgren, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.
All Works
Showing the 20 most-cited of 65 papers — load more, or switch the sort, to bring in the rest.
| # | Work | ||
|---|---|---|---|
| 1 | Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy Hit paper breakdown → | 2004 | 7737 |
| 2 | Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes Hit paper breakdown → | 2006 | 5524 |
| 3 | Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94 Hit paper breakdown → | 1996 | 4421 |
| 4 | Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening Hit paper breakdown → | 2004 | 4101 |
| 5 | The synchronous-transit method for determining reaction pathways and locating molecular transition states Hit paper breakdown → | 1977 | 1774 |
| 6 | Identifying and Characterizing Binding Sites and Assessing Druggability Hit paper breakdown → | 2009 | 1330 |
| 7 | Integrated Modeling Program, Applied Chemical Theory (IMPACT) Hit paper breakdown → | 2005 | 1225 |
| 8 | MMFF VI. MMFF94s option for energy minimization studies Hit paper breakdown → | 1999 | 1042 |
| 9 | Merck molecular force field. II. MMFF94 van der Waals and electrostatic parameters for intermolecular interactions Hit paper breakdown → | 1996 | 971 |
| 10 | Merck molecular force field. IV. conformational energies and geometries for MMFF94 Hit paper breakdown → | 1996 | 762 |
| 11 | Merck molecular force field. III. Molecular geometries and vibrational frequencies for MMFF94 Hit paper breakdown → | 1996 | 702 |
| 12 | Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rules Hit paper breakdown → | 1996 | 669 |
| 13 | MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries Hit paper breakdown → | 1999 | 641 |
| 14 | The representation of van der Waals (vdW) interactions in molecular mechanics force fields: potential form, combination rules, and vdW parameters Hit paper breakdown → | 1992 | 608 |
| 15 | 2001 | 413 | |
| 16 | 1997 | 295 | |
| 17 | 2002 | 257 | |
| 18 | 1995 | 180 | |
| 19 | Self-consistent-field wavefunctions for complex molecules. The approximation of partial retention of diatomic differential overlap Hit paper breakdown → | 1973 | 174 |
| 20 | 1990 | 160 |
About Thomas A. Halgren
Thomas A. Halgren is a scholar working on Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Spectroscopy, Organic Chemistry and Molecular Biology, having authored 65 papers that have together received 34.2k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (17 papers), Spectroscopy and Quantum Chemical Studies (12 papers), Protein Structure and Dynamics (10 papers), Crystallography and molecular interactions (9 papers), Boron Compounds in Chemistry (9 papers), Computational Drug Discovery Methods (8 papers), Molecular Spectroscopy and Structure (6 papers) and Inorganic and Organometallic Chemistry (5 papers). The work is most often cited by research in Computational Theory and Mathematics (9.1k citations), Organic Chemistry (8.2k citations), Molecular Biology (17.3k citations), Toxicology (777 citations) and Pharmacology (3.0k citations). Thomas A. Halgren has collaborated with scholars based in United States and Canada. Frequent co-authors include Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky, Daniel T. Mainz, Leah L. Frye, Jay L. Banks, William N. Lipscomb, Paul C. Sanschagrin, Jeremy R. Greenwood and Jason K. Perry. Their work appears in journals such as Journal of Computational Chemistry, Journal of the American Chemical Society, Journal of Medicinal Chemistry, Proceedings of the National Academy of Sciences and Inorganic Chemistry.
Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.