Gary Tresadern

4.5k total citations
98 papers, 2.9k citations indexed

About

Gary Tresadern is a scholar working on Molecular Biology, Computational Theory and Mathematics and Cellular and Molecular Neuroscience. According to data from OpenAlex, Gary Tresadern has authored 98 papers receiving a total of 2.9k indexed citations (citations by other indexed papers that have themselves been cited), including 77 papers in Molecular Biology, 40 papers in Computational Theory and Mathematics and 23 papers in Cellular and Molecular Neuroscience. Recurrent topics in Gary Tresadern's work include Computational Drug Discovery Methods (40 papers), Protein Structure and Dynamics (31 papers) and Receptor Mechanisms and Signaling (25 papers). Gary Tresadern is often cited by papers focused on Computational Drug Discovery Methods (40 papers), Protein Structure and Dynamics (31 papers) and Receptor Mechanisms and Signaling (25 papers). Gary Tresadern collaborates with scholars based in Belgium, United States and Spain. Gary Tresadern's co-authors include Laura Pérez‐Benito, Andrés A. Trabanco, Herman van Vlijmen, Vytautas Gapsys, Bert L. de Groot, Hilde Lavreysen, Ian H. Hillier, Dimitris K. Agrafiotis, Gregor J. Macdonald and Karina Martínez‐Mayorga and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Journal of the American Chemical Society and Journal of Biological Chemistry.

In The Last Decade

Gary Tresadern

96 papers receiving 2.9k citations

Peers

Gary Tresadern

CTM

CMN

Claudio N. Cavasotto United States

Vittorio Limongelli Italy

Jens Carlsson Sweden

Marco De Vivo Italy

Matteo Masetti Italy

Felice C. Lightstone United States

A. Geoffrey Skillman United States

Edgar Jacoby Switzerland

Flemming Steen Jørgensen Denmark

Paul S. Charifson United States

Claudio N. Cavasotto United States

Gary Tresadern

2.7k ×1.4

1.8k ×1.6

CTM

576 ×1.1

431 ×0.8

343 ×0.8

CMN

Citations per year, relative to Gary Tresadern Gary Tresadern (= 1×) peers Claudio N. Cavasotto

Countries citing papers authored by Gary Tresadern

Since Specialization

Citations

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

Fields of papers citing papers by Gary Tresadern

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Gary Tresadern

This figure shows the co-authorship network connecting the top 25 collaborators of Gary Tresadern. A scholar is included among the top collaborators of Gary Tresadern 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 Gary Tresadern. Gary Tresadern is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Aci‐Sèche, Samia, et al.. (2025). Spatio-temporal learning from molecular dynamics simulations for protein–ligand binding affinity prediction. Bioinformatics. 41(8).

Thomas, Morgan, Mazen Ahmad, Gary Tresadern, & Gianni De Fabritiis. (2024). PromptSMILES: prompting for scaffold decoration and fragment linking in chemical language models. Journal of Cheminformatics. 16(1). 77–77. 2 indexed citations

Yu, Xiaodi, Rosalie Matico, Dhruv Chauhan, et al.. (2024). Structural basis for the oligomerization-facilitated NLRP3 activation. Nature Communications. 15(1). 1164–1164. 25 indexed citations

Aci‐Sèche, Samia, et al.. (2023). The Impact of Data on Structure-Based Binding Affinity Predictions Using Deep Neural Networks. International Journal of Molecular Sciences. 24(22). 16120–16120. 7 indexed citations

Serneels, Lutgarde, Rajeshwar Narlawar, Laura Pérez‐Benito, et al.. (2023). Selective inhibitors of the PSEN1–gamma-secretase complex. Journal of Biological Chemistry. 299(6). 104794–104794. 10 indexed citations

Robertson, J.C., et al.. (2023). MELD-Bracket Ranks Binding Affinities of Diverse Sets of Ligands. Journal of Chemical Information and Modeling. 63(9). 2857–2865. 2 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

Tresadern, Gary, et al.. (2021). Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations. Chemical Science. 12(15). 5511–5516. 34 indexed citations

Millar, Val, Tryfon Zarganes‐Tzitzikas, David Brough, et al.. (2021). A phenotypic high-content, high-throughput screen identifies inhibitors of NLRP3 inflammasome activation. Scientific Reports. 11(1). 15319–15319. 10 indexed citations

10.

Lucas, Ana Isabel de, Juan A. Vega, María Lourdes Linares, et al.. (2021). Scaffold Hopping to Imidazo[1,2-a]pyrazin-8-one Positive Allosteric Modulators of Metabotropic Glutamate 2 Receptor. ACS Omega. 6(35). 22997–23006. 2 indexed citations

11.

Peschiulli, Aldo, Daniel Oehlrich, Michiel Van Gool, et al.. (2021). A Brain-Penetrant and Bioavailable Pyrazolopiperazine BACE1 Inhibitor Elicits Sustained Reduction of Amyloid β In Vivo. ACS Medicinal Chemistry Letters. 13(1). 76–83. 7 indexed citations

12.

Tresadern, Gary, Ingrid Velter, Andrés A. Trabanco, et al.. (2020). [1,2,4]Triazolo[1,5-a]pyrimidine Phosphodiesterase 2A Inhibitors: Structure and Free-Energy Perturbation-Guided Exploration. Journal of Medicinal Chemistry. 63(21). 12887–12910. 18 indexed citations

13.

Díaz, Lucía, Gary Tresadern, Christophe Buyck, et al.. (2020). Monte Carlo simulations using PELE to identify a protein–protein inhibitor binding site and pose. RSC Advances. 10(12). 7058–7064. 5 indexed citations

14.

Jiménez-Luna, José, Laura Pérez‐Benito, Gerard Martínez-Rosell, et al.. (2019). DeltaDelta neural networks for lead optimization of small molecule potency. Chemical Science. 10(47). 10911–10918. 48 indexed citations

15.

Torrecillas, Iván R., Ana Isabel de Lucas, Andrés A. Trabanco, et al.. (2019). Inhibition of the Alanine-Serine-Cysteine-1 Transporter by BMS-466442. ACS Chemical Neuroscience. 10(5). 2510–2517. 9 indexed citations

16.

Oehlrich, Daniel, Aldo Peschiulli, Gary Tresadern, et al.. (2019). Evaluation of a Series of β-Secretase 1 Inhibitors Containing Novel Heteroaryl-Fused-Piperazine Amidine Warheads. ACS Medicinal Chemistry Letters. 10(8). 1159–1165. 26 indexed citations

17.

Cid, José M., Hilde Lavreysen, Gary Tresadern, et al.. (2018). Computationally Guided Identification of Allosteric Agonists of the Metabotropic Glutamate 7 Receptor. ACS Chemical Neuroscience. 10(3). 1043–1054. 5 indexed citations

18.

Wang, Xuesong, Luc Peeters, Laura Pérez‐Benito, et al.. (2018). Covalent Allosteric Probe for the Metabotropic Glutamate Receptor 2: Design, Synthesis, and Pharmacological Characterization. Journal of Medicinal Chemistry. 62(1). 223–233. 21 indexed citations

19.

Rombouts, Frederik, Richard Alexander, Erna Cleiren, et al.. (2017). Fragment Binding to β-Secretase 1 without Catalytic Aspartate Interactions Identified via Orthogonal Screening Approaches. ACS Omega. 2(2). 685–697. 13 indexed citations

20.

Cid, José M., Thea Mulder‐Krieger, Andrés A. Trabanco, et al.. (2017). Discovery and Kinetic Profiling of 7-Aryl-1,2,4-triazolo[4,3-a]pyridines: Positive Allosteric Modulators of the Metabotropic Glutamate Receptor 2. Journal of Medicinal Chemistry. 60(15). 6704–6720. 35 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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