Didier Rognan

11.6k citations

173 papers · 8.9k indexed · 1 hit paper · h-index 53

Impact in

Computational Theory and Mathematics top 0.05%
- Computational Drug Discovery Methods
Molecular Biology top 0.5%
- Protein Structure and Dynamics
- Receptor Mechanisms and Signaling
- Chemical Synthesis and Analysis

Papers in

Computational Theory and Mathematics 64
- Computational Drug Discovery Methods 63
Molecular Biology 133
- Protein Structure and Dynamics 33
- Receptor Mechanisms and Signaling 26
- Chemical Synthesis and Analysis 23

Co-authors: Esther Kellenberger Gerd Folkers Caterina Bissantz Gilles Marcou Jérémy Desaphy Pascal Müller Jordi Rodrigo Guillaume Bret
Journals: Journal of Chemical Information and Modeling (23 papers)Journal of Medicinal Chemistry (18 papers)Journal of Biological Chemistry (13 papers)Proteins Structure Function and Bioinformatics (9 papers)Journal of Computer-Aided Molecular Design (7 papers)
Partner nations: France Switzerland Germany

In The Last Decade

Didier Rognan

173 papers receiving 8.6k citations

Hit Papers

align trajectories log scale

Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations 2000 · 595 citations

Peers

Countries citing papers authored by Didier Rognan

Since Specialization

Citations

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

Fields of papers citing papers by Didier Rognan

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

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

Co-authorship network

The 25 scholars most cited alongside Didier Rognan, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Didier Rognan Line = papers co-authored together Didier Rognan links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	An anti-virulence drug targeting the evolvability protein Mfd protects against infections with antimicrobial resistant ESKAPE pathogens Nature Communications ·Seav‐Ly Tran, Yohanes Juan Permata Hatul, Lihua Cao, Т.В.Чебан, Jodi Marie Daly, А В Николаев, Rozenn Dervyn, Fetra Sultan, Jacobo de la Cuesta‐Zuluaga, Lisa Maier, Thierry Naas, Simona Mura, Didier Rognan, Julien Nicolas, Gwenaëlle André, Nalini Ramarao	2025	2
2	On the Difficulty to Rescore Hits from Ultralarge Docking Screens Journal of Chemical Information and Modeling ·Dênisson Silva Souza, Guillaume Bret, Didier Rognan	2025	1
3	Active Learning to Select the Most Suitable Reagents and One-Step Organic Chemistry Reactions for Prioritizing Target-Specific Hits from Ultralarge Chemical Spaces Journal of Chemical Information and Modeling ·Zuoyi Zhang, Dênisson Silva Souza, Didier Rognan	2025	1
4	Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical Spaces ACS Central Science ·Dênisson Silva Souza, Chantal D.M. van Paridon, Merveille Eguida, Didier Rognan	2024	10
5	Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2 Journal of Chemical Information and Modeling ·Merveille Eguida, Guillaume Bret, Dênisson Silva Souza, Fengling Li, Irene Chau, Suzanne Ackloo, C.H. Arrowsmith, Albina Bolotokova, Pegah Ghiabi, Elisa Gibson, Levon Halabelian, Scott Houliston, Rachel Harding, Ashley Hutchinson, P. Loppnau, Sumera Perveen, Almagul Seitova, Hong Zeng, Matthieu Schapira, Didier Rognan	2024	4
6	Estimating the Similarity between Protein Pockets International Journal of Molecular Sciences ·Merveille Eguida, Didier Rognan	2022	20
7	High-Throughput Screening for Extracellular Inhibitors of the FLT3 Receptor Tyrosine Kinase Reveals Chemically Diverse and Druggable Negative Allosteric Modulators ACS Chemical Biology ·خالد خلف الزريقات, Jean-Philippe Leyris, Guillaume Bret, Ramaswamy Hariharan, Chamroeun Sar, Andriy Barylko, Abdallah Hamzé, Olivier Provot, Pierre Sokoloff, Jean Valmier, Pascal Villa, Didier Rognan	2022	2
8	Targeting undruggable carbohydrate recognition sites through focused fragment library design Communications Chemistry ·Elena Shanina, Sakonwan Kuhaudomlarp, J.M. Otto, Felix F. Fuchsberger, Wen Jia, Adam Swiatko, Mads H. Clausen, Peter H. Seeberger, Didier Rognan, Alexander Titz, Anne Imberty, Christoph Rademacher	2022	12
9	Target-Focused Library Design by Pocket-Applied Computer Vision and Fragment Deep Generative Linking Journal of Medicinal Chemistry ·Merveille Eguida, R. Katzenbach, Marcel Hibert, Pascal Villa, Didier Rognan	2022	14
10	On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks Journal of Medicinal Chemistry ·Seyed Dvood Bafrouii, E. Tinkler, 张表梨, Nicholas G. Martin, Brice Hoffmann, Yann Gaston‐Mathé, Didier Rognan	2022	108
11	True Accuracy of Fast Scoring Functions to Predict High-Throughput Screening Data from Docking Poses: The Simpler the Better Journal of Chemical Information and Modeling ·Viet‐Khoa Tran‐Nguyen, Guillaume Bret, Didier Rognan	2021	47
12	Targeting the Central Pocket of the Pseudomonas aeruginosa Lectin LecA ChemBioChem ·J.M. Otto, Elena Shanina, Sakonwan Kuhaudomlarp, Adam Swiatko, 塩路周作, Peter H. Seeberger, Didier Rognan, Christoph Rademacher, Anne Imberty, Alexander Titz	2021	17
13	Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement International Journal of Molecular Sciences ·Viet‐Khoa Tran‐Nguyen, Didier Rognan	2020	11
14	LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening Journal of Chemical Information and Modeling ·Viet‐Khoa Tran‐Nguyen, Célien Jacquemard, Didier Rognan	2020	142
15	A Computer Vision Approach to Align and Compare Protein Cavities: Application to Fragment-Based Drug Design Journal of Medicinal Chemistry ·Merveille Eguida, Didier Rognan	2020	19
16	Ureidopeptide GLP-1 analogues with prolonged activity in vivo via signal bias and altered receptor trafficking Chemical Science ·Juliette Frémaux, Robert S Young, Kirsten Riis Madsen, Robert Zimmer, Tetsuji Hidaka, Didier Rognan, Stavroula Bitsi, B Subbarayudu, Ben Jones, Alejandra Tomás, Gilles Guichard, Sébastien R. Goudreau	2019	27
17	Anticancer activity of ruthenium and osmium cyclometalated compounds: identification of ABCB1 and EGFR as resistance mechanisms Inorganic Chemistry Frontiers ·Cynthia Licona, Jean‐Baptiste Delhorme, Rodrigo Junio da Graça, George Jithin Babu, Ricardo Cerón‐Camacho, Yang Hao, Aïna Venkatasamy, Catherine Tomasetto, Adam Swiatko, Didier Rognan, Jean‐Noël Freund, Ronan Le Lagadec, Michel Pfeffer, Isabelle Groß, Georg Mellitzer, Christian Gaiddon	2019	36
18	Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses Molecules ·Célien Jacquemard, Viet‐Khoa Tran‐Nguyen, Malgorzata N. Drwal, Didier Rognan, Esther Kellenberger	2019	5
19	All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening Journal of Chemical Information and Modeling ·Viet‐Khoa Tran‐Nguyen, Aadesh Gupta, Guillaume Bret, Didier Rognan	2018	25
20	Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015 Journal of Computer-Aided Molecular Design ·Maria Emília Oliveira de Queiroga, Aadesh Gupta, Guillaume Bret, Didier Rognan	2016	13

About Didier Rognan

Didier Rognan is a scholar working on Computational Theory and Mathematics, Molecular Biology, Radiology, Nuclear Medicine and Imaging, Immunology and Cellular and Molecular Neuroscience, having authored 173 papers that have together received 8.9k indexed citations. Recurring topics across this work include Computational Drug Discovery Methods (63 papers), Protein Structure and Dynamics (33 papers), Monoclonal and Polyclonal Antibodies Research (31 papers), Receptor Mechanisms and Signaling (26 papers), Chemical Synthesis and Analysis (23 papers), Immunotherapy and Immune Responses (18 papers), T-cell and B-cell Immunology (17 papers) and Microbial Natural Products and Biosynthesis (16 papers). The work is most often cited by research in Computational Theory and Mathematics (3.8k citations), Molecular Biology (6.3k citations), Cellular and Molecular Neuroscience (1.0k citations), Pharmacology (910 citations) and Organic Chemistry (1.2k citations). Didier Rognan has collaborated with scholars based in France, Switzerland and Germany. Frequent co-authors include Esther Kellenberger, Gerd Folkers, Caterina Bissantz, Gilles Marcou, Jérémy Desaphy, Pascal Müller, Jordi Rodrigo, Guillaume Bret, Chris de Graaf and Martial Ruat. Their work appears in journals such as Journal of Chemical Information and Modeling, Journal of Medicinal Chemistry, Journal of Biological Chemistry, Proteins Structure Function and Bioinformatics and Journal of Computer-Aided Molecular Design.

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