Lai Hoang Son Le

5PUBLICATIONS
23CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsSoftware testing, verification and validationGeospatial information systems and geospatial data modellingBiomolecular modelling and design
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Publications (5)

|Oct 01, 2026
High-Throughput Screening Identifies Covalent Inhibitors with Unique Chemistry and Binding Modes for SARS-CoV‑2 Main Protease.

|Apr 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models.

|Apr 15, 2026
Phage Display Driven Identification and Computational Mapping of Macrocyclic Peptides Targeting RhoA G17V.

|Apr 14, 2026
Nicotine-Inspired, De Novo-Designed SARS-CoV-2 Main Protease Inhibitors Reveal Unique Chemistry for Covalently Conjugating Both Cysteine and Histidine Residues in the Catalytic Dyad.

Sandeep Atla, Veerabhadra Vulupala, Yugendar R Alugubelli

|Sep 15, 2025
Synergy of advanced machine learning and deep neural networks with consensus molecular docking for virtual screening of anaplastic lymphoma kinase inhibitors.

The-Chuong Trinh, Tieu-Long Phan, Van-Thinh To

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Frequent Collaborators

3 joint publications

Wenshe Ray Liu

2 joint publications

Tieu-Long Phan

2 joint publications

Van-Thinh To

2 joint publications

Tuyen Ngoc Truong