Thomas Fox

18.0k total citations · 3 hit papers
56 papers, 15.1k citations indexed

About

Thomas Fox is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Computational Theory and Mathematics. According to data from OpenAlex, Thomas Fox has authored 56 papers receiving a total of 15.1k indexed citations (citations by other indexed papers that have themselves been cited), including 32 papers in Molecular Biology, 19 papers in Atomic and Molecular Physics, and Optics and 19 papers in Computational Theory and Mathematics. Recurrent topics in Thomas Fox's work include Protein Structure and Dynamics (21 papers), Computational Drug Discovery Methods (19 papers) and Spectroscopy and Quantum Chemical Studies (13 papers). Thomas Fox is often cited by papers focused on Protein Structure and Dynamics (21 papers), Computational Drug Discovery Methods (19 papers) and Spectroscopy and Quantum Chemical Studies (13 papers). Thomas Fox collaborates with scholars based in Germany, United States and United Kingdom. Thomas Fox's co-authors include Peter A. Kollman, David C. Spellmeyer, David M. Ferguson, Piotr Cieplak, James W. Caldwell, Wendy D. Cornell, Ian R. Gould, Kenneth M. Merz, Christopher I. Bayly and Christofer S. Tautermann and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Journal of the American Chemical Society and Chemical Society Reviews.

In The Last Decade

Thomas Fox

56 papers receiving 14.8k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 11.3k citations Wendy D. Cornell, Piotr Cieplak et al. Journal of the American Chemical Society profile →
Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins

1995 717 citations Thomas E. Cheatham, Jennifer L. Miller et al. Journal of the American Chemical Society profile →
Application of the RESP Methodology in the Parametrization of Organic Solvents

1998 467 citations Thomas Fox, Peter A. Kollman The Journal of Physical Chemistry B profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Thomas Fox Germany	28	9.2k	3.4k	3.0k	1.9k	1.8k	56	15.1k
Gerrit Groenhof Finland	39	9.5k 1.0×	3.2k 1.0×	3.5k 1.2×	2.0k 1.1×	1.3k 0.7×	87	18.7k
David C. Spellmeyer United States	26	8.3k 0.9×	3.0k 0.9×	2.9k 1.0×	3.0k 1.6×	1.7k 1.0×	43	14.9k
Michael R. Shirts United States	43	9.9k 1.1×	4.0k 1.2×	3.4k 1.1×	1.4k 0.7×	1.6k 0.9×	112	15.8k
Qiang Cui United States	72	8.9k 1.0×	3.7k 1.1×	4.5k 1.5×	2.0k 1.1×	1.7k 1.0×	394	16.5k
J. G. E. M. Fraaije Netherlands	26	9.0k 1.0×	4.3k 1.3×	2.0k 0.7×	2.7k 1.5×	1.1k 0.6×	84	17.4k
Hsing Lee United States	7	10.3k 1.1×	3.5k 1.1×	3.6k 1.2×	2.5k 1.3×	1.6k 0.9×	8	19.2k
Romain M. Wolf Switzerland	26	9.9k 1.1×	3.1k 0.9×	1.8k 0.6×	2.9k 1.6×	1.8k 1.0×	57	18.1k
Henk Bekker Netherlands	11	9.0k 1.0×	2.5k 0.8×	1.9k 0.6×	1.9k 1.0×	1.1k 0.6×	20	15.5k
Chris Oostenbrink Austria	48	8.0k 0.9×	2.3k 0.7×	2.3k 0.8×	1.5k 0.8×	1.4k 0.8×	243	13.3k
Kim A. Sharp United States	65	15.7k 1.7×	4.3k 1.3×	3.8k 1.3×	1.8k 0.9×	2.0k 1.1×	150	22.7k

Countries citing papers authored by Thomas Fox

Since Specialization

Citations

This map shows the geographic impact of Thomas Fox'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 Fox with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Thomas Fox more than expected).

Fields of papers citing papers by Thomas Fox

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Thomas Fox. 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 Fox. The network helps show where Thomas Fox may publish in the future.

Co-authorship network of co-authors of Thomas Fox

This figure shows the co-authorship network connecting the top 25 collaborators of Thomas Fox. A scholar is included among the top collaborators of Thomas Fox based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Thomas Fox. Thomas Fox is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

Ochoa, Rodrigo & Thomas Fox. (2023). Assessing the fast prediction of peptide conformers and the impact of non-natural modifications. Journal of Molecular Graphics and Modelling. 125. 108608–108608. 4 indexed citations

Ochoa, Rodrigo, J. Brown, & Thomas Fox. (2023). pyPept: a python library to generate atomistic 2D and 3D representations of peptides. Journal of Cheminformatics. 15(1). 79–79. 5 indexed citations

D’Amore, Lorenzo, David F. Hahn, David Dotson, et al.. (2022). Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field. Journal of Chemical Information and Modeling. 62(23). 6094–6104. 13 indexed citations

Fox, Thomas, et al.. (2022). BILN: A Human-Readable Line Notation for Complex Peptides. Journal of Chemical Information and Modeling. 62(17). 3942–3947. 10 indexed citations

Fox, Thomas, et al.. (2021). Protein–ligand free energies of binding from full-protein DFT calculations: convergence and choice of exchange–correlation functional. Physical Chemistry Chemical Physics. 23(15). 9381–9393. 25 indexed citations

Işık, Mehtap, et al.. (2020). Assessing the accuracy of octanol–water partition coefficient predictions in the SAMPL6 Part II log P Challenge. Journal of Computer-Aided Molecular Design. 34(4). 335–370. 50 indexed citations

Christ, Clara D. & Thomas Fox. (2013). Accuracy Assessment and Automation of Free Energy Calculations for Drug Design. Journal of Chemical Information and Modeling. 54(1). 108–120. 105 indexed citations

Fox, Stephen, Christofer S. Tautermann, Thomas Fox, et al.. (2013). Free Energies of Binding from Large-Scale First-Principles Quantum Mechanical Calculations: Application to Ligand Hydration Energies. The Journal of Physical Chemistry B. 117(32). 9478–9485. 40 indexed citations

Wallnoefer, Hannes G., Thomas Fox, Klaus R. Liedl, & Christofer S. Tautermann. (2010). Dispersion dominated halogen–π interactions: energies and locations of minima. Physical Chemistry Chemical Physics. 12(45). 14941–14941. 75 indexed citations

10.

Czodrowski, Paul, Jan M. Kriegl, Stefan Scheuerer, & Thomas Fox. (2009). Computational approaches to predict drug metabolism. Expert Opinion on Drug Metabolism & Toxicology. 5(1). 15–27. 41 indexed citations

11.

Hansen, Katja, Timon Schroeter, Georg Rast, et al.. (2009). Bias-Correction of Regression Models: A Case Study on hERG Inhibition. Journal of Chemical Information and Modeling. 49(6). 1486–1496. 22 indexed citations

12.

Fox, Thomas & Jan M. Kriegl. (2006). Machine Learning Techniques for In Silico Modeling of Drug Metabolism. Current Topics in Medicinal Chemistry. 6(15). 1579–1591. 65 indexed citations

13.

Kriegl, Jan M., Thomas Arnhold, Bernd Beck, & Thomas Fox. (2005). A support vector machine approach to classify human cytochrome P450 3A4 inhibitors. Journal of Computer-Aided Molecular Design. 19(3). 189–201. 49 indexed citations

14.

Kriegl, Jan M., Lennart Eriksson, Thomas Arnhold, et al.. (2005). Multivariate modeling of cytochrome P450 3A4 inhibition. European Journal of Pharmaceutical Sciences. 24(5). 451–463. 27 indexed citations

15.

Fox, Thomas & Eric Haaksma. (2000). Computer based screening of compound databases: 1. Preselection of benzamidine-based thrombin inhibitors. Journal of Computer-Aided Molecular Design. 14(5). 411–425. 14 indexed citations

16.

Simmerling, Carlos, Thomas Fox, & Peter A. Kollman. (1998). Use of Locally Enhanced Sampling in Free Energy Calculations: Testing and Application to the α → β Anomerization of Glucose. Journal of the American Chemical Society. 120(23). 5771–5782. 69 indexed citations

17.

Cheatham, Thomas E., Jennifer L. Miller, Thomas Fox, Tom Darden, & Peter A. Kollman. (1995). Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins. Journal of the American Chemical Society. 117(14). 4193–4194. 717 indexed citations breakdown →

18.

Cornell, Wendy D., Piotr Cieplak, Christopher I. Bayly, et al.. (1995). A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules. Journal of the American Chemical Society. 117(19). 5179–5197. 11318 indexed citations breakdown →

19.

Fox, Thomas & Notker Rösch. (1992). On the cavity model for solvent shifts of excited states — a critical appraisal. Journal of Molecular Structure THEOCHEM. 276. 279–297. 10 indexed citations

20.

Garnett, William R., et al.. (1984). Effect of Cimetidine on Quinidine Clearance. Therapeutic Drug Monitoring. 6(3). 306–312. 12 indexed citations

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.

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