About me
I am a lecturer at the Faculty of Pharmacy, Lac Hong University. My research applies computer-aided drug design (CADD) and cheminformatics to accelerate the discovery of new therapeutic candidates. I focus on 3D pharmacophore modeling, machine learning, molecular docking, ADMET prediction, molecular dynamics simulations, and binding free energy calculations (MM/GBSA and MM/PBSA). I am also interested in integrating machine learning to improve predictive performance and automate compound screening pipelines. This site highlights my publications, research activities, and computational tools developed for both research and teaching.
Research interests
- 3D pharmacophore modeling for virtual screening.
- Machine learning models for bioactivity and ADMET prediction.
- Structure-based approaches including molecular docking.
- Molecular dynamics simulations for protein–ligand complexes.
- Binding free energy estimation using MM/GBSA and MM/PBSA.