Marcel L. Verdonk

8.6k total citations · 2 hit papers
54 papers, 6.7k citations indexed

About

Marcel L. Verdonk is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Marcel L. Verdonk has authored 54 papers receiving a total of 6.7k indexed citations (citations by other indexed papers that have themselves been cited), including 40 papers in Molecular Biology, 35 papers in Computational Theory and Mathematics and 17 papers in Materials Chemistry. Recurrent topics in Marcel L. Verdonk's work include Computational Drug Discovery Methods (35 papers), Protein Structure and Dynamics (25 papers) and Enzyme Structure and Function (10 papers). Marcel L. Verdonk is often cited by papers focused on Computational Drug Discovery Methods (35 papers), Protein Structure and Dynamics (25 papers) and Enzyme Structure and Function (10 papers). Marcel L. Verdonk collaborates with scholars based in United Kingdom, Netherlands and Germany. Marcel L. Verdonk's co-authors include Christopher W. Murray, Jason C. Cole, Michael J. Hartshorn, Richard D. Taylor, Wijnand T. M. Mooij, Paul N. Mortenson, Gianni Chessari, J. Willem M. Nissink, Robin Taylor and R.S. Taylor and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Nature Communications and The Journal of Chemical Physics.

In The Last Decade

Marcel L. Verdonk

51 papers receiving 6.5k 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.

Improved protein–ligand docking using GOLD

2003 2.4k citations Marcel L. Verdonk, Jason C. Cole et al. Proteins Structure Function and Bioinformatics profile →
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance

2007 501 citations Michael J. Hartshorn, Marcel L. Verdonk et al. profile →

Peers

Marcel L. Verdonk

CTM

PHARM

Xiaomin Luo China

Craig A. James Australia

Lingle Wang United States

A. Patrícia Bento United Kingdom

Mee Shelley Canada

Yvonne C. Martin United States

Ramy Farid United States

John C. Shelley United States

Gareth Jones United Kingdom

György M. Keserű Hungary

Xiaomin Luo China

Marcel L. Verdonk

5.1k ×1.1

2.9k ×0.9

CTM

1.2k ×0.8

1.1k ×0.9

685 ×0.9

PHARM

Citations per year, relative to Marcel L. Verdonk Marcel L. Verdonk (= 1×) peers Xiaomin Luo

Countries citing papers authored by Marcel L. Verdonk

Since Specialization

Citations

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

Fields of papers citing papers by Marcel L. Verdonk

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Marcel L. Verdonk. 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 Marcel L. Verdonk. The network helps show where Marcel L. Verdonk may publish in the future.

Co-authorship network of co-authors of Marcel L. Verdonk

This figure shows the co-authorship network connecting the top 25 collaborators of Marcel L. Verdonk. A scholar is included among the top collaborators of Marcel L. Verdonk 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 Marcel L. Verdonk. Marcel L. Verdonk 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

Davies, Thomas G., et al.. (2025). Mapping the space of protein binding sites with sequence-based protein language models. Bioinformatics. 41(6).

Branduardi, Davide, et al.. (2025). Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo. Nature Communications. 16(1). 6198–6198.

Ludlow, R. Frederick, Marcel L. Verdonk, Harpreet K. Saini, Ian J. Tickle, & Harren Jhoti. (2015). Detection of secondary binding sites in proteins using fragment screening. Proceedings of the National Academy of Sciences. 112(52). 15910–15915. 89 indexed citations

Murray, Christopher W., Marcel L. Verdonk, & David C. Rees. (2012). Experiences in fragment-based drug discovery. Trends in Pharmacological Sciences. 33(5). 224–232. 179 indexed citations

Davies, Thomas G., Marcel L. Verdonk, Brent Graham, et al.. (2007). A Structural Comparison of Inhibitor Binding to PKB, PKA and PKA-PKB Chimera. Journal of Molecular Biology. 367(3). 882–894. 75 indexed citations

Mooij, Wijnand T. M., Michael J. Hartshorn, Ian J. Tickle, et al.. (2006). Automated Protein–Ligand Crystallography for Structure‐Based Drug Design. ChemMedChem. 1(8). 827–838. 59 indexed citations

Mooij, Wijnand T. M. & Marcel L. Verdonk. (2005). General and targeted statistical potentials for protein–ligand interactions. Proteins Structure Function and Bioinformatics. 61(2). 272–287. 284 indexed citations

Kirton, Stewart B., Christopher W. Murray, Marcel L. Verdonk, & Richard D. Taylor. (2005). Prediction of binding modes for ligands in the cytochromes P450 and other heme‐containing proteins. Proteins Structure Function and Bioinformatics. 58(4). 836–844. 86 indexed citations

Watson, Paul, Marcel L. Verdonk, & Michael J. Hartshorn. (2003). A web-based platform for virtual screening. Journal of Molecular Graphics and Modelling. 22(1). 71–82. 25 indexed citations

10.

Nissink, J. Willem M., et al.. (2002). A new test set for validating predictions of protein–ligand interaction. Proteins Structure Function and Bioinformatics. 49(4). 457–471. 343 indexed citations

11.

Murray, Christopher W. & Marcel L. Verdonk. (2002). The consequences of translational and rotational entropy lost by small molecules on binding to proteins. Journal of Computer-Aided Molecular Design. 16(10). 741–753. 153 indexed citations

12.

Murray, Christopher W., et al.. (2002). Sensitivity of molecular docking to induced fit effects in influenza virus neuraminidase. Journal of Computer-Aided Molecular Design. 16(12). 855–869. 52 indexed citations

13.

Bergner, Andreas, et al.. (2001). Use of Relibase for retrieving complex three-dimensional interaction patterns including crystallographic packing effects. Biopolymers. 61(2). 99–110. 43 indexed citations

14.

Watson, Paul, Peter Willett, Valerie J. Gillet, & Marcel L. Verdonk. (2001). Calculating the knowledge-based similarity of functional groups using crystallographic data. Journal of Computer-Aided Molecular Design. 15(9). 835–857. 15 indexed citations

15.

Verdonk, Marcel L., Jason C. Cole, & R.S. Taylor. (1999). SuperStar: A Knowledge-based Approach for Identifying Interaction Sites in Proteins. Journal of Molecular Biology. 289(4). 1093–1108. 148 indexed citations

16.

Cole, Jason C., Robin Taylor, & Marcel L. Verdonk. (1998). Directional Preferences of Intermolecular Contacts to Hydrophobic Groups. Acta Crystallographica Section D Biological Crystallography. 54(6). 1183–1193. 8 indexed citations

17.

Verdonk, Marcel L., J. A. Kanters, J. Kroon, et al.. (1997). Structure and Serotonin 5-HT_2C Receptor Activity of ortho- and meta-Substituted Phenylpiperazines. Acta Crystallographica Section B Structural Science. 53(6). 976–983. 7 indexed citations

18.

Bruno, Ian, Jason C. Cole, Jos P. M. Lommerse, et al.. (1997). IsoStar: A library of information about nonbonded interactions. Journal of Computer-Aided Molecular Design. 11(6). 525–537. 246 indexed citations

19.

Verdonk, Marcel L., et al.. (1993). Stereochemistry of charged nitrogen-aromatic interactions and its involvement in ligand-receptor binding. Journal of Computer-Aided Molecular Design. 7(2). 173–182. 34 indexed citations

20.

Verdonk, Marcel L., J. A. Kanters, & J. Kroon. (1992). Structure of eltoprazine. Acta Crystallographica Section C Crystal Structure Communications. 48(12). 2271–2273. 2 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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