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International Journal of Molecular Sciences|June 25, 2020
Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for ImprovementViet-Khoa Tran-Nguyen, Didier RognanJournal of Chemical Information and Modeling|April 14, 2020
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual ScreeningViet-Khoa Tran-Nguyen, Célien Jacquemard, Didier RognanJournal of Chemical Information and Modeling|June 10, 2021
True Accuracy of Fast Scoring Functions to Predict High-Throughput Screening Data from Docking Poses: The Simpler the BetterViet-Khoa Tran-Nguyen, Guillaume Bret, Didier RognanJournal of Chemical Information and Modeling|December 20, 2018
All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual ScreeningViet-Khoa Tran-Nguyen, Franck Da Silva, Guillaume Bret, et al.Molecules (Basel, Switzerland)|July 21, 2019
Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking PosesCélien Jacquemard, Viet-Khoa Tran-Nguyen, Malgorzata N Drwal, et al.Journal of Chemical Information and Modeling|February 27, 2023
Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader ComparisonsViet-Khoa Tran-Nguyen, Pedro J BallesterCurrent Opinion in Structural Biology|September 11, 2025
Computational modeling of protein-ligand interactions: From binding site identification to pose prediction and beyondViet-Khoa Tran-Nguyen, Anne-Claude CamprouxFuture Medicinal Chemistry|April 4, 2024
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRPWei Yi, Viet-Khoa Tran-Nguyen, Ahcène BoumendjelPharmaceuticals (Basel, Switzerland)|November 27, 2021
Diversity-Oriented Synthesis: Amino Acetophenones as Building Blocks for the Synthesis of Natural Product AnalogsMathias Eymery, Viet-Khoa Tran-Nguyen, Ahcène BoumendjelJournal of Cheminformatics|July 24, 2025
HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitorsViet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier TaboureauPageof 14