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Viet‐Khoa Tran‐Nguyen

Observed names: Nguyen-Viet-Khoa Tran, Tran-Nguyen, Viet-Khoa, V.K. Tran-Nguyen, Viet Khoa Tran Nguyen, Viet-Khoa Tran-Nguyen
Observed institutions: Centre National de la Recherche Scientifique, Inserm, Université Paris Cité, Aix-Marseille Université, University of Medicine and Pharmacy at Ho Chi Minh City, Laboratoire d'Innovation Thérapeutique, Unit of Functional and Adaptive Biology, Centre de Recherche en Cancérologie de Marseille, Institut Paoli-Calmettes, Université Paris Diderot, Département de Pharmacochimie Moléculaire, Physiologie De L'Axe Gonadotrope, Université de Strasbourg, Université Grenoble Alpes
ORCID: 0000-0001-7497-333X
Observed ORCID: 0000-0001-7497-333X
OpenAlex ID: A5014611705
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
2020 · Viet-Khoa Tran-Nguyen, Célien Jacquemard, et al. · Journal of Chemical Information and Modeling · 294
A practical guide to machine-learning scoring for structure-based virtual screening
2023 · Viet-Khoa Tran-Nguyen, Muhammad Junaid, et al. · Nature Protocols · 108
True Accuracy of Fast Scoring Functions to Predict High-Throughput Screening Data from Docking Poses: The Simpler the Better
2021 · Viet-Khoa Tran-Nguyen, Guillaume Bret, et al. · Journal of Chemical Information and Modeling · 62
Computational assay of Zanamivir binding affinity with original and mutant influenza neuraminidase 9 using molecular docking
2015 · Khac-Minh Thai, Duy-Phong Le, et al. · Journal of Theoretical Biology · 49
All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening
2018 · Viet-Khoa Tran-Nguyen, Franck Da Silva, et al. · Journal of Chemical Information and Modeling · 39
Computational modeling of protein–ligand interactions: From binding site identification to pose prediction and beyond
2025 · Viet-Khoa Tran-Nguyen, Anne-Claude Camproux · Current Opinion in Structural Biology · 33
Synthesis and Anticancer Cytotoxicity of Azaaurones Overcoming Multidrug Resistance
2020 · Szilárd Tóth, Áron Szepesi, et al. · Molecules · 28
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Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons
2023 · Viet-Khoa Tran-Nguyen, Pedro J. Ballester · Journal of Chemical Information and Modeling · 27
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Inactive-enriched machine-learning models exploiting patent data improve structure-based virtual screening for PDL1 dimerizers
2024 · Pablo Gómez-Sacristán, Saw Simeon, et al. · Journal of Advanced Research · 26
Comprehensive machine learning boosts structure-based virtual screening for PARP1 inhibitors
2024 · Klaudia Caba, Viet-Khoa Tran-Nguyen, et al. · Journal of Cheminformatics · 23
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Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement
2020 · Viet-Khoa Tran-Nguyen, Didier Rognan · International Journal of Molecular Sciences · 21
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Modulators of the Efflux Pump Cdr1p of Candida albicans: Mechanisms of Action and Chemical Features
2017 · Viet-Khoa Tran-Nguyen, Rajendra Prasad, et al. · Current Medicinal Chemistry · 18
Prevalence and drug susceptibility of clinical Candida species in nasopharyngeal cancer patients in Vietnam
2023 · Bac V.G. Nguyen, Hau H.N. Nguyen, et al. · One Health · 15
HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors
2025 · Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, et al. · Journal of Cheminformatics · 14
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Chalcone Derivatives as Potential Inhibitors of P‐Glycoprotein and NorA: An In Silico and In Vitro Study
2022 · Minh-Tri Le, Dieu-Thuong Thi Trinh, et al. · BioMed Research International · 14
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Structure-based virtual screening for PDL1 dimerizers: Evaluating generic scoring functions
2022 · Viet-Khoa Tran-Nguyen, Saw Simeon, et al. · Current Research in Structural Biology · 14
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Diversity-Oriented Synthesis: Amino Acetophenones as Building Blocks for the Synthesis of Natural Product Analogs
2021 · Mathias Eymery, Viet-Khoa Tran-Nguyen, et al. · Pharmaceuticals · 13
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Peramivir binding affinity with influenza A neuraminidase and research on its mutations using an induced-fit docking approach
2019 · V.K. Tran-Nguyen, M.T. Le, et al. · SAR and QSAR in environmental research · 13
Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study
2020 · Minh-Tri Le, Thien-Vy Phan, et al. · Molecular Diversity · 12
Optimization of the chromone scaffold through QSAR and docking studies: Identification of potent inhibitors of ABCG2
2019 · Emile Roussel, Viet-Khoa Tran-Nguyen, et al. · European Journal of Medicinal Chemistry · 12
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ClassyPose: A Machine‐Learning Classification Model for Ligand Pose Selection Applied to Virtual Screening in Drug Discovery
2024 · Viet‐Khoa Tran‐Nguyen, Anne‐Claude Camproux, et al. · Advanced Intelligent Systems · 10
Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids
2023 · Mathias Christophe Eymery, Kim-Anh Nguyen, et al. · European Journal of Medicinal Chemistry · 9
Local Interaction Density (LID), a Fast and Efficient Tool to Prioritize Docking Poses
2019 · Célien Jacquemard, Viet-Khoa Tran-Nguyen, et al. · Molecules · 8
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Make Azoles Active Again: Chalcones as Potent Reversal Agents of Transporters-Mediated Resistance in Candida Albicans
2018 · Shweta Nim, Pratima Baghel, et al. · Future Medicinal Chemistry · 8
Ligand-Based Drug Discovery Leveraging State-of-the-Art Machine Learning Methodologies Exemplified by Cdr1 Inhibitor Prediction
2025 · The-Chuong Trinh, Pierre Falson, et al. · Journal of Chemical Information and Modeling · 7
Works count: 43
Citation count: 886
H-index: 14
I10-index: 21
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