Antoine Daina

27.4k total citations · 7 hit papers
29 papers, 19.1k citations indexed

About

Antoine Daina is a scholar working on Computational Theory and Mathematics, Molecular Biology and Pharmacology. According to data from OpenAlex, Antoine Daina has authored 29 papers receiving a total of 19.1k indexed citations (citations by other indexed papers that have themselves been cited), including 18 papers in Computational Theory and Mathematics, 17 papers in Molecular Biology and 6 papers in Pharmacology. Recurrent topics in Antoine Daina's work include Computational Drug Discovery Methods (18 papers), Protein Structure and Dynamics (7 papers) and Microbial Natural Products and Biosynthesis (5 papers). Antoine Daina is often cited by papers focused on Computational Drug Discovery Methods (18 papers), Protein Structure and Dynamics (7 papers) and Microbial Natural Products and Biosynthesis (5 papers). Antoine Daina collaborates with scholars based in Switzerland, United States and United Kingdom. Antoine Daina's co-authors include Vincent Zoete, Olivier Michielin, Aurélien Grosdidier, David Gfeller, Matthias Wirth, Christophe Bovigny, Marta A. S. Perez, Ute F. Röhrig, Pierre‐Alain Carrupt and Marine Bugnon and has published in prestigious journals such as Journal of the American Chemical Society, Nucleic Acids Research and PLoS ONE.

In The Last Decade

Antoine Daina

28 papers receiving 18.8k citations

Hit Papers

align trajectories sort by overperformance

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.

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

2017 11.4k citations Antoine Daina, Olivier Michielin et al. Scientific Reports profile →
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules

2019 2.7k citations Antoine Daina, Olivier Michielin et al. Nucleic Acids Research profile →
A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

2016 1.7k citations Antoine Daina, Vincent Zoete ChemMedChem profile →
SwissTargetPrediction: a web server for target prediction of bioactive small molecules

2014 1.2k citations David Gfeller, Aurélien Grosdidier et al. Nucleic Acids Research profile →
iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach

2014 690 citations Antoine Daina, Olivier Michielin et al. Journal of Chemical Information and Modeling profile →
SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina

2024 159 citations Marine Bugnon, Ute F. Röhrig et al. Nucleic Acids Research profile →
SwissParam 2023: A Modern Web-Based Tool for Efficient Small Molecule Parametrization

2023 108 citations Marine Bugnon, Mathilde Goullieux et al. Journal of Chemical Information and Modeling profile →

Author Peers

Peers are selected by citation overlap in the author's most active subfields. citations · hero ref

Author						Papers	Cites
Antoine Daina	7.7k	6.7k	6.4k	2.6k	2.2k	29	19.1k
Vincent Zoete	13.1k 1.7×	8.0k 1.2×	7.9k 1.2×	3.3k 1.2×	2.6k 1.2×	157	28.4k
Oleg Trott	14.2k 1.9×	6.2k 0.9×	6.5k 1.0×	2.9k 1.1×	2.0k 0.9×	7	27.3k
William Lindstrom	10.6k 1.4×	5.8k 0.9×	4.5k 0.7×	2.1k 0.8×	1.2k 0.6×	15	20.2k
Franco Lombardo	12.3k 1.6×	8.9k 1.3×	9.6k 1.5×	3.2k 1.2×	2.9k 1.3×	40	28.2k
Beryl W. Dominy	11.7k 1.5×	8.6k 1.3×	8.4k 1.3×	3.0k 1.1×	2.1k 1.0×	17	25.9k
Ruth Huey	18.7k 2.4×	8.9k 1.3×	8.4k 1.3×	3.5k 1.3×	2.1k 0.9×	23	34.2k
Ettore Novellino	12.9k 1.7×	7.4k 1.1×	1.8k 0.3×	2.6k 1.0×	704 0.3×	820	27.5k
Matthew P. Repasky	9.5k 1.2×	3.7k 0.5×	5.3k 0.8×	1.9k 0.7×	820 0.4×	20	15.6k
Daniel T. Mainz	9.0k 1.2×	3.4k 0.5×	4.8k 0.8×	1.7k 0.7×	779 0.4×	11	14.7k
Md. Imtaiyaz Hassan	8.8k 1.1×	2.1k 0.3×	2.4k 0.4×	1.5k 0.6×	607 0.3×	648	16.8k

Countries citing papers authored by Antoine Daina

Since Specialization

Citations

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

Fields of papers citing papers by Antoine Daina

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network of co-authors of Antoine Daina

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

Bugnon, Marine, Ute F. Röhrig, Mathilde Goullieux, et al.. (2024). SwissDock 2024: major enhancements for small-molecule docking with Attracting Cavities and AutoDock Vina. Nucleic Acids Research. 52(W1). W324–W332. 159 indexed citations breakdown →

Daina, Antoine & Vincent Zoete. (2024). Testing the predictive power of reverse screening to infer drug targets, with the help of machine learning. Communications Chemistry. 7(1). 105–105. 27 indexed citations

Cleary, James M., Antoine Daina, Srivatsan Raghavan, et al.. (2022). Secondary IDH1 resistance mutations and oncogenic IDH2 mutations cause acquired resistance to ivosidenib in cholangiocarcinoma. npj Precision Oncology. 6(1). 61–61. 52 indexed citations

Daina, Antoine, et al.. (2021). SwissBioisostere 2021: updated structural, bioactivity and physicochemical data delivered by a reshaped web interface. Nucleic Acids Research. 50(D1). D1382–D1390. 32 indexed citations

Waman, Vaishali, Neeladri Sen, Mihály Váradi, et al.. (2020). The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies. Briefings in Bioinformatics. 22(2). 742–768. 26 indexed citations

Daina, Antoine & Vincent Zoete. (2019). Application of the SwissDrugDesign Online Resources in Virtual Screening. International Journal of Molecular Sciences. 20(18). 4612–4612. 73 indexed citations

Daina, Antoine, Marie-Claude Blatter, Vivienne Baillie Gerritsen, & Vincent Zoete. (2018). Educational Tools to Introduce Computer-Aided Drug Design to Students and to the Public at Large. CHIMIA International Journal for Chemistry. 72(1-2). 55–55. 3 indexed citations

Daina, Antoine, Olivier Michielin, & Vincent Zoete. (2017). SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports. 7(1). 42717–42717. 11379 indexed citations breakdown →

Daina, Antoine, Marie-Claude Blatter, Vivienne Baillie Gerritsen, et al.. (2017). Drug Design Workshop: A Web-Based Educational Tool To Introduce Computer-Aided Drug Design to the General Public. Journal of Chemical Education. 94(3). 335–344. 46 indexed citations

10.

Daina, Antoine & Vincent Zoete. (2016). A BOILED‐Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules. ChemMedChem. 11(11). 1117–1121. 1705 indexed citations breakdown →

11.

Zoete, Vincent, et al.. (2015). Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape. Journal of Computational Chemistry. 37(4). 437–447. 39 indexed citations

12.

Gfeller, David, Aurélien Grosdidier, Matthias Wirth, et al.. (2014). SwissTargetPrediction: a web server for target prediction of bioactive small molecules. Nucleic Acids Research. 42(W1). W32–W38. 1215 indexed citations breakdown →

13.

Daina, Antoine, et al.. (2014). Modeling the Met Form of Human Tyrosinase: A Refined and Hydrated Pocket for Antagonist Design. Chemical Biology & Drug Design. 84(2). 206–215. 23 indexed citations

14.

Chabrol, E, Alessandra Nurisso, Antoine Daina, et al.. (2012). Glycosaminoglycans Are Interactants of Langerin: Comparison with gp120 Highlights an Unexpected Calcium-Independent Binding Mode. PLoS ONE. 7(11). e50722–e50722. 38 indexed citations

15.

Scalliet, Gabriel, Torsten Luksch, Michael Niklaus, et al.. (2012). Mutagenesis and Functional Studies with Succinate Dehydrogenase Inhibitors in the Wheat Pathogen Mycosphaerella graminicola. PLoS ONE. 7(4). e35429–e35429. 158 indexed citations

16.

Nurisso, Alessandra, Juan Bravo, Pierre‐Alain Carrupt, & Antoine Daina. (2012). Molecular Docking Using the Molecular Lipophilicity Potential as Hydrophobic Descriptor: Impact on GOLD Docking Performance. Journal of Chemical Information and Modeling. 52(5). 1319–1327. 43 indexed citations

17.

Grilo, Liliana Sintra, Pierre‐Alain Carrupt, Hugues Abriel, & Antoine Daina. (2011). Block of the hERG channel by bupivacaine: Electrophysiological and modeling insights towards stereochemical optimization. European Journal of Medicinal Chemistry. 46(8). 3486–3498. 10 indexed citations

18.

Nurisso, Alessandra, Antoine Daina, & Ross C. Walker. (2011). A Practical Introduction to Molecular Dynamics Simulations: Applications to Homology Modeling. Methods in molecular biology. 857. 137–173. 25 indexed citations

19.

Grilo, Liliana Sintra, Pierre‐Alain Carrupt, & Antoine Daina. (2010). Stereoselective Block of hERG Channel by Bupivacaine Scrutinized at Molecular Level. CHIMIA International Journal for Chemistry. 64(3). 165–165. 2 indexed citations

20.

Daina, Antoine, Juan Bravo, Angelo Carotti, et al.. (2006). Impact of Species-Dependent Differences on Screening, Design, and Development of MAO B Inhibitors. Journal of Medicinal Chemistry. 49(21). 6264–6272. 77 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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