John Marelius

1.3k total citations
11 papers, 1.1k citations indexed

About

John Marelius is a scholar working on Molecular Biology, Organic Chemistry and Computational Theory and Mathematics. According to data from OpenAlex, John Marelius has authored 11 papers receiving a total of 1.1k indexed citations (citations by other indexed papers that have themselves been cited), including 9 papers in Molecular Biology, 4 papers in Organic Chemistry and 4 papers in Computational Theory and Mathematics. Recurrent topics in John Marelius's work include Protein Structure and Dynamics (7 papers), Computational Drug Discovery Methods (4 papers) and Enzyme Structure and Function (3 papers). John Marelius is often cited by papers focused on Protein Structure and Dynamics (7 papers), Computational Drug Discovery Methods (4 papers) and Enzyme Structure and Function (3 papers). John Marelius collaborates with scholars based in Sweden, Netherlands and Germany. John Marelius's co-authors include Johan Åqvist, Karin Kolmodin, Isabella Feierberg, Johan �Qvist, Tony Hansson, Anders Hallberg, Tomas Hansson, Björn Rabenstein, Ernst‐Walter Knapp and Eva Stjernschantz and has published in prestigious journals such as Journal of the American Chemical Society, Journal of Medicinal Chemistry and Journal of Chemical Information and Modeling.

In The Last Decade

John Marelius

11 papers receiving 1.1k citations

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
John Marelius Sweden 10 828 382 193 161 81 11 1.1k
Irene Nobeli United Kingdom 19 1.1k 1.3× 278 0.7× 247 1.3× 154 1.0× 53 0.7× 42 1.5k
V. Mohan United States 21 1.2k 1.5× 269 0.7× 122 0.6× 237 1.5× 110 1.4× 38 1.5k
Ben Davis United Kingdom 19 1.2k 1.5× 349 0.9× 318 1.6× 149 0.9× 67 0.8× 33 1.5k
Lidio Meireles United States 6 898 1.1× 204 0.5× 202 1.0× 113 0.7× 41 0.5× 6 1.1k
Katrina W. Lexa United States 20 859 1.0× 434 1.1× 192 1.0× 213 1.3× 34 0.4× 27 1.3k
F. Raymond Salemme United States 13 749 0.9× 237 0.6× 151 0.8× 163 1.0× 45 0.6× 22 1.1k
Sinisa Bjelic Sweden 17 1.0k 1.2× 171 0.4× 281 1.5× 190 1.2× 81 1.0× 27 1.4k
Angela N. Migues United States 5 997 1.2× 208 0.5× 262 1.4× 124 0.8× 80 1.0× 6 1.5k
Osmar Norberto de Souza Brazil 21 744 0.9× 258 0.7× 148 0.8× 207 1.3× 43 0.5× 64 1.2k
Dimitris Dimitropoulos United States 9 831 1.0× 214 0.6× 228 1.2× 76 0.5× 186 2.3× 24 1.3k

Countries citing papers authored by John Marelius

Since Specialization
Citations

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

Fields of papers citing papers by John Marelius

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of John Marelius

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

All Works

11 of 11 papers shown
1.
Stjernschantz, Eva, et al.. (2006). Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method. Journal of Chemical Information and Modeling. 46(5). 1972–1983. 47 indexed citations
2.
Åqvist, Johan & John Marelius. (2001). The Linear Interaction Energy Method for Predicting Ligand Binding Free Energies. Combinatorial Chemistry & High Throughput Screening. 4(8). 613–626. 155 indexed citations
3.
Marelius, John, et al.. (2001). Sensitivity of an empirical affinity scoring function to changes in receptor–ligand complex conformations. European Journal of Pharmaceutical Sciences. 14(1). 87–95. 13 indexed citations
4.
Marelius, John, et al.. (2001). Computational modelling of inhibitor binding to human thrombin. European Journal of Pharmaceutical Sciences. 12(4). 441–446. 35 indexed citations
5.
Rabenstein, Björn, et al.. (2000). The Deacylation Step of Acetylcholinesterase:  Computer Simulation Studies. Journal of the American Chemical Society. 122(49). 12254–12262. 46 indexed citations
6.
Marelius, John, Åsa Helen Persson, Göte Swedberg, et al.. (2000). Computational Predictions of Binding Affinities to Dihydrofolate Reductase:  Synthesis and Biological Evaluation of Methotrexate Analogues. Journal of Medicinal Chemistry. 43(21). 3852–3861. 22 indexed citations
7.
Marelius, John, et al.. (1998). Ligand binding affinity prediction by linear interaction energy methods. Journal of Computer-Aided Molecular Design. 12(1). 27–35. 387 indexed citations
8.
Marelius, John, Karin Kolmodin, Isabella Feierberg, & Johan Åqvist. (1998). Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems. Journal of Molecular Graphics and Modelling. 16(4-6). 213–225. 289 indexed citations
9.
Marelius, John, et al.. (1998). Computation of affinity and selectivity: Binding of 2,4-diaminopteridine and 2,4-diaminoquinazoline inhibitors to dihydrofolate reductases. Journal of Computer-Aided Molecular Design. 12(2). 119–131. 50 indexed citations
10.
Marelius, John, Tony Hansson, & Johan �Qvist. (1998). Calculation of ligand binding free energies from molecular dynamics simulations. International Journal of Quantum Chemistry. 69(1). 77–88. 53 indexed citations
11.
Marelius, John. (1998). Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems. Journal of Molecular Graphics and Modelling. 16(4-6). 213–225. 4 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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