Rocco Meli

1.2k total citations · 2 hit papers
8 papers, 622 citations indexed

About

Rocco Meli is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Rocco Meli has authored 8 papers receiving a total of 622 indexed citations (citations by other indexed papers that have themselves been cited), including 5 papers in Molecular Biology, 5 papers in Computational Theory and Mathematics and 3 papers in Materials Chemistry. Recurrent topics in Rocco Meli's work include Computational Drug Discovery Methods (5 papers), Protein Structure and Dynamics (4 papers) and Click Chemistry and Applications (2 papers). Rocco Meli is often cited by papers focused on Computational Drug Discovery Methods (5 papers), Protein Structure and Dynamics (4 papers) and Click Chemistry and Applications (2 papers). Rocco Meli collaborates with scholars based in United Kingdom, Switzerland and United States. Rocco Meli's co-authors include Philip C. Biggin, Rishal Aggarwal, David Ryan Koes, Andrew T. McNutt, Tomohide Masuda, Paul Francoeur, Jocelyn Sunseri, Matthew Ragoza, Garrett M. Morris and Mike J. Bodkin and has published in prestigious journals such as SHILAP Revista de lepidopterología, Applied Physics Letters and Journal of Chemical Theory and Computation.

In The Last Decade

Rocco Meli

7 papers receiving 607 citations

Hit Papers

GNINA 1.0: molecular docking with deep learning 2021 2026 2022 2024 2021 2025 100 200 300
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.

  1. GNINA 1.0: molecular docking with deep learning
    2021 397 citations Andrew T. McNutt, Paul Francoeur et al. Journal of Cheminformatics profile →
  2. GNINA 1.3: the next increment in molecular docking with deep learning
    2025 19 citations Andrew T. McNutt, Yanjing Li et al. Journal of Cheminformatics profile →

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
Rocco Meli United Kingdom 6 420 363 152 57 55 8 622
Tomohide Masuda Japan 6 495 1.2× 476 1.3× 246 1.6× 79 1.4× 67 1.2× 10 744
Daniel Álvarez-García Spain 6 480 1.1× 323 0.9× 105 0.7× 78 1.4× 55 1.0× 7 632
Sumudu P. Leelananda United States 8 391 0.9× 262 0.7× 126 0.8× 90 1.6× 39 0.7× 16 584
Sergio Ruiz‐Carmona Spain 7 466 1.1× 298 0.8× 98 0.6× 68 1.2× 55 1.0× 15 688
Stefan Bietz Germany 10 402 1.0× 323 0.9× 143 0.9× 87 1.5× 80 1.5× 16 626
Yang Ying United States 8 414 1.0× 310 0.9× 76 0.5× 120 2.1× 64 1.2× 12 639
Eva Nittinger Sweden 13 543 1.3× 428 1.2× 263 1.7× 92 1.6× 65 1.2× 28 901
Sam Z. Grinter United States 10 474 1.1× 424 1.2× 102 0.7× 89 1.6× 64 1.2× 10 658
Billy J. Williams‐Noonan Australia 11 272 0.6× 152 0.4× 65 0.4× 61 1.1× 53 1.0× 15 464
Pavel Sidorov France 11 252 0.6× 308 0.8× 201 1.3× 53 0.9× 38 0.7× 20 476

Countries citing papers authored by Rocco Meli

Since Specialization
Citations

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

Fields of papers citing papers by Rocco Meli

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Rocco Meli

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

All Works

8 of 8 papers shown
1.
2.
McNutt, Andrew T., Yanjing Li, Rocco Meli, Rishal Aggarwal, & David Ryan Koes. (2025). GNINA 1.3: the next increment in molecular docking with deep learning. Journal of Cheminformatics. 17(1). 28–28. 19 indexed citations breakdown →
3.
Meli, Rocco, Garrett M. Morris, & Philip C. Biggin. (2022). Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review. SHILAP Revista de lepidopterología. 2. 63 indexed citations
4.
Meli, Rocco, Andrew Anighoro, Mike J. Bodkin, Garrett M. Morris, & Philip C. Biggin. (2021). Learning protein-ligand binding affinity with atomic environment vectors. Journal of Cheminformatics. 13(1). 59–59. 50 indexed citations
5.
McNutt, Andrew T., Paul Francoeur, Rishal Aggarwal, et al.. (2021). GNINA 1.0: molecular docking with deep learning. Journal of Cheminformatics. 13(1). 43–43. 397 indexed citations breakdown →
6.
Meli, Rocco & Philip C. Biggin. (2020). spyrmsd: symmetry-corrected RMSD calculations in Python. Journal of Cheminformatics. 12(1). 49–49. 63 indexed citations
7.
Liberatore, Elisa, Rocco Meli, & Ursula Röthlisberger. (2018). A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 14(6). 2834–2842. 26 indexed citations
8.
Meli, Rocco, Giacomo Miceli, & Alfredo Pasquarello. (2017). Oxygen DX center in In0.17Al0.83N: Nonradiative recombination and persistent photoconductivity. Applied Physics Letters. 110(7). 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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