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Journal of Medicinal Chemistry|June 5, 2020
A Computer Vision Approach to Align and Compare Protein Cavities: Application to Fragment-Based Drug DesignMerveille Eguida, Didier RognanJournal of Cheminformatics|November 24, 2021
Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer visionMerveille Eguida, Didier RognanInternational Journal of Molecular Sciences|October 27, 2022
Estimating the Similarity between Protein PocketsMerveille Eguida, Didier RognanACS Central Science|April 1, 2024
Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical SpacesFrançois Sindt, Anthony Seyller, Merveille Eguida, et al.Journal of Medicinal Chemistry|October 18, 2022
Target-Focused Library Design by Pocket-Applied Computer Vision and Fragment Deep Generative LinkingMerveille Eguida, Christel Schmitt-Valencia, Marcel Hibert, et al.Pharmacology & Therapeutics|February 23, 2017
The impact of in silico screening in the discovery of novel and safer drug candidatesDidier RognanJournal of Physiology, Paris|February 7, 2006
Development and virtual screening of target librariesDidier RognanMolecular Informatics|July 28, 2016
Structure-Based Approaches to Target Fishing and Ligand ProfilingDidier RognanTopics in Current Chemistry|June 29, 2011
Fragment-based approaches and computer-aided drug discoveryDidier RognanDrug Discovery Today. Technologies|September 21, 2013
Proteome-scale docking: myth and realityDidier RognanPageof 13