Viet-Khoa Tran-Nguyen

13PUBLICATIONS
15CO-AUTHORS
Biomolecular modelling and designCheminformatics and quantitative structure-activity relationshipsPlanning and decision makingChemotherapyStatistical mechanics in chemistry
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Publications (13)

|Sep 01, 2026
NextTopDocker: A Large-Scale Docking-Power Benchmark Reveals Limitations of Current End-to-End Machine-Learning Docking and the Strength of Hybrid Rescoring.

|Jul 18, 2026
Enhancing virtual screening of cystathionine β-synthase inhibitors: benchmarking target-specific machine-learning scoring functions against state-of-the-art AI docking and co-folding approaches.

|Apr 17, 2025
Ligand-Based Drug Discovery Leveraging State-of-the-Art Machine Learning Methodologies Exemplified by Cdr1 Inhibitor Prediction.

The-Chuong Trinh, Pierre Falson, Viet-Khoa Tran-Nguyen

|Apr 04, 2024
One-step synthesis of diaryloxadiazoles as potent inhibitors of BCRP.

Wei Yi, Viet-Khoa Tran-Nguyen, Ahcène Boumendjel

|Oct 16, 2023
A practical guide to machine-learning scoring for structure-based virtual screening.

Viet-Khoa Tran-Nguyen, Muhammad Junaid, Saw Simeon

|Feb 27, 2023
Beware of Simple Methods for Structure-Based Virtual Screening: The Critical Importance of Broader Comparisons.

Viet-Khoa Tran-Nguyen, Pedro J Ballester

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Frequent Collaborators

3 joint publications

Khac-Minh Thai

3 joint publications

Didier Rognan

3 joint publications

Ahcène Boumendjel

3 joint publications

Pedro J Ballester