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International Journal of Molecular Sciences
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June 25, 2020
Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement
Viet-Khoa Tran-Nguyen, Didier Rognan
Journal of Chemical Information and Modeling
|
February 27, 2023
Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons
Viet-Khoa Tran-Nguyen, Pedro J Ballester
Current Opinion in Structural Biology
|
September 11, 2025
Computational modeling of protein-ligand interactions: From binding site identification to pose prediction and beyond
Viet-Khoa Tran-Nguyen, Anne-Claude Camproux
Journal 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 Better
Viet-Khoa Tran-Nguyen, Guillaume Bret, Didier Rognan
Future Medicinal Chemistry
|
April 4, 2024
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRP
Wei Yi, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel
Pharmaceuticals (Basel, Switzerland)
|
November 27, 2021
Diversity-Oriented Synthesis: Amino Acetophenones as Building Blocks for the Synthesis of Natural Product Analogs
Mathias Eymery, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel
Journal of Chemical Information and Modeling
|
April 14, 2020
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
Viet-Khoa Tran-Nguyen, Célien Jacquemard, Didier Rognan
Journal of Cheminformatics
|
July 24, 2025
HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors
Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier Taboureau
Current Medicinal Chemistry
|
May 27, 2017
Modulators of the Efflux Pump Cdr1p of Candida albicans: Mechanisms of Action and Chemical Features
Viet-Khoa Tran-Nguyen, Rajendra Prasad, Pierre Falson, et al.
Journal of Chemical Information and Modeling
|
December 20, 2018
All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening
Viet-Khoa Tran-Nguyen, Franck Da Silva, Guillaume Bret, et al.
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Search research articles
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Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
International Journal of Molecular Sciences
|
June 25, 2020
Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement
Viet-Khoa Tran-Nguyen, Didier Rognan
Journal of Chemical Information and Modeling
|
February 27, 2023
Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons
Viet-Khoa Tran-Nguyen, Pedro J Ballester
Current Opinion in Structural Biology
|
September 11, 2025
Computational modeling of protein-ligand interactions: From binding site identification to pose prediction and beyond
Viet-Khoa Tran-Nguyen, Anne-Claude Camproux
Journal 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 Better
Viet-Khoa Tran-Nguyen, Guillaume Bret, Didier Rognan
Future Medicinal Chemistry
|
April 4, 2024
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRP
Wei Yi, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel
Pharmaceuticals (Basel, Switzerland)
|
November 27, 2021
Diversity-Oriented Synthesis: Amino Acetophenones as Building Blocks for the Synthesis of Natural Product Analogs
Mathias Eymery, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel
Journal of Chemical Information and Modeling
|
April 14, 2020
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
Viet-Khoa Tran-Nguyen, Célien Jacquemard, Didier Rognan
Journal of Cheminformatics
|
July 24, 2025
HERGAI: an artificial intelligence tool for structure-based prediction of hERG inhibitors
Viet-Khoa Tran-Nguyen, Ulrick Fineddie Randriharimanamizara, Olivier Taboureau
Current Medicinal Chemistry
|
May 27, 2017
Modulators of the Efflux Pump Cdr1p of Candida albicans: Mechanisms of Action and Chemical Features
Viet-Khoa Tran-Nguyen, Rajendra Prasad, Pierre Falson, et al.
Journal of Chemical Information and Modeling
|
December 20, 2018
All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening
Viet-Khoa Tran-Nguyen, Franck Da Silva, Guillaume Bret, et al.
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