Simone Fulle

2.2k total citations · 1 hit paper
30 papers, 1.5k citations indexed

About

Simone Fulle is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Simone Fulle has authored 30 papers receiving a total of 1.5k indexed citations (citations by other indexed papers that have themselves been cited), including 21 papers in Molecular Biology, 13 papers in Computational Theory and Mathematics and 9 papers in Materials Chemistry. Recurrent topics in Simone Fulle's work include Computational Drug Discovery Methods (13 papers), Protein Structure and Dynamics (11 papers) and RNA and protein synthesis mechanisms (9 papers). Simone Fulle is often cited by papers focused on Computational Drug Discovery Methods (13 papers), Protein Structure and Dynamics (11 papers) and RNA and protein synthesis mechanisms (9 papers). Simone Fulle collaborates with scholars based in Germany, United Kingdom and Denmark. Simone Fulle's co-authors include Samo Turk, Sabrina Jaeger-Honz, Holger Gohlke, Sameh Eid, Friedrich Rippmann, Andrea Volkamer, Benjamin Merget, Paul W. Finn, Michael J. Blackman and Maria Penzo and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Nucleic Acids Research and Journal of Molecular Biology.

In The Last Decade

Simone Fulle

29 papers receiving 1.4k 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.

Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition

2017 479 citations Sabrina Jaeger-Honz, Simone Fulle et al. Journal of Chemical Information and Modeling profile →

Peers — A (Enhanced Table)

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

Name	h						Papers	Cites
Simone Fulle Germany	17	927	622	342	108	108	30	1.5k
Florian Nigsch Switzerland	21	725 0.8×	582 0.9×	220 0.6×	119 1.1×	152 1.4×	36	1.4k
Irene Luque Spain	27	1.4k 1.5×	302 0.5×	406 1.2×	181 1.7×	151 1.4×	65	2.2k
David J. Huggins United States	29	1.4k 1.5×	468 0.8×	258 0.8×	152 1.4×	215 2.0×	63	2.2k
Chenghua Shao United States	19	894 1.0×	437 0.7×	351 1.0×	79 0.7×	88 0.8×	30	1.3k
José M. Duarte United States	24	1.5k 1.7×	357 0.6×	477 1.4×	100 0.9×	138 1.3×	46	2.1k
Vincent Le Guilloux France	5	1.0k 1.1×	574 0.9×	189 0.6×	108 1.0×	88 0.8×	5	1.3k
Inbal Halperin United States	9	1.4k 1.5×	629 1.0×	383 1.1×	80 0.7×	122 1.1×	9	1.8k
Nurcan Tunçbağ Türkiye	22	1.9k 2.1×	530 0.9×	310 0.9×	99 0.9×	78 0.7×	50	2.4k
Sayan Mondal United States	15	1.1k 1.1×	367 0.6×	144 0.4×	102 0.9×	208 1.9×	26	1.6k
Daniel K. Gehlhaar United States	17	1.5k 1.6×	725 1.2×	446 1.3×	105 1.0×	318 2.9×	24	2.0k

Countries citing papers authored by Simone Fulle

Since Specialization

Citations

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

Fields of papers citing papers by Simone Fulle

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Simone Fulle

This figure shows the co-authorship network connecting the top 25 collaborators of Simone Fulle. A scholar is included among the top collaborators of Simone Fulle 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 Simone Fulle. Simone Fulle 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

Sadek, Ahmed K., et al.. (2026). Mapping targetable sites on the human surfaceome for the design of novel binders. Proceedings of the National Academy of Sciences. 123(5). e2506269123–e2506269123.

Li, Kang, Niels Rode Kristensen, Ole Winther, et al.. (2023). Molecular Representations in Machine-Learning-Based Prediction of PK Parameters for Insulin Analogs. ACS Omega. 8(26). 23566–23578. 4 indexed citations

Kruse, Thomas, Jakob Lerche Hansen, Kirsten Dahl, et al.. (2021). Development of Cagrilintide, a Long-Acting Amylin Analogue. Journal of Medicinal Chemistry. 64(15). 11183–11194. 76 indexed citations

Turk, Samo, Benjamin Merget, Friedrich Rippmann, & Simone Fulle. (2017). Coupling Matched Molecular Pairs with Machine Learning for Virtual Compound Optimization. Journal of Chemical Information and Modeling. 57(12). 3079–3085. 14 indexed citations

Fulle, Simone, et al.. (2017). Kinome‐Wide Profiling Prediction of Small Molecules. ChemMedChem. 13(6). 495–499. 26 indexed citations

Ercan, Ebru, Sameh Eid, Christian Weber, et al.. (2017). A validated antibody panel for the characterization of tau post-translational modifications. Molecular Neurodegeneration. 12(1). 87–87. 60 indexed citations

Jaeger-Honz, Sabrina, Simone Fulle, & Samo Turk. (2017). Mol2vec: Unsupervised Machine Learning Approach with Chemical Intuition. Journal of Chemical Information and Modeling. 58(1). 27–35. 479 indexed citations breakdown →

Eid, Sameh, Samo Turk, Andrea Volkamer, Friedrich Rippmann, & Simone Fulle. (2017). KinMap: a web-based tool for interactive navigation through human kinome data. BMC Bioinformatics. 18(1). 16–16. 226 indexed citations

Velikova, Nadya, Simone Fulle, Ana Sousa Manso, et al.. (2016). Putative histidine kinase inhibitors with antibacterial effect against multi-drug resistant clinical isolates identified by in vitro and in silico screens. Scientific Reports. 6(1). 26085–26085. 37 indexed citations

10.

Fulle, Simone, et al.. (2016). Failure of the IDA in FRET Systems at Close Inter-Dye Distances Is Moderated by Frequent Low κ² Values. The Journal of Physical Chemistry B. 120(34). 8845–8862. 12 indexed citations

11.

Fulle, Simone, et al.. (2015). Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit. Nucleic Acids Research. 43(16). 7731–7743. 9 indexed citations

12.

Penzo, Maria, et al.. (2014). Substrate derived peptidic α-ketoamides as inhibitors of the malarial protease PfSUB1. Bioorganic & Medicinal Chemistry Letters. 24(18). 4486–4489. 28 indexed citations

13.

Ebejer, Jean-Paul, Simone Fulle, Garrett M. Morris, & Paul W. Finn. (2013). The emerging role of cloud computing in molecular modelling. Journal of Molecular Graphics and Modelling. 44. 177–187. 19 indexed citations

14.

Homeyer, Nadine, et al.. (2013). Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit. Biological Chemistry. 394(11). 1529–1541. 13 indexed citations

15.

Withers‐Martinez, Chrislaine, Catherine Suárez, Simone Fulle, et al.. (2012). Plasmodium subtilisin-like protease 1 (SUB1): Insights into the active-site structure, specificity and function of a pan-malaria drug target. International Journal for Parasitology. 42(6). 597–612. 46 indexed citations

16.

Fulle, Simone & Holger Gohlke. (2011). Flexibility Analysis of Biomacromolecules with Application to Computer-Aided Drug Design. Methods in molecular biology. 819. 75–91. 4 indexed citations

17.

Fulle, Simone, et al.. (2010). HIV-1 TAR RNA Spontaneously Undergoes Relevant Apo-to-Holo Conformational Transitions in Molecular Dynamics and Constrained Geometrical Simulations. Journal of Chemical Information and Modeling. 50(8). 1489–1501. 25 indexed citations

18.

Fulle, Simone & Holger Gohlke. (2009). Constraint counting on RNA structures: Linking flexibility and function. Methods. 49(2). 181–188. 21 indexed citations

19.

Fulle, Simone & Holger Gohlke. (2009). Statics of the Ribosomal Exit Tunnel: Implications for Cotranslational Peptide Folding, Elongation Regulation, and Antibiotics Binding. Journal of Molecular Biology. 387(2). 502–517. 56 indexed citations

20.

Fulle, Simone & Holger Gohlke. (2008). Analyzing the Flexibility of RNA Structures by Constraint Counting. Biophysical Journal. 94(11). 4202–4219. 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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