Duc Duy Nguyen

This paper introduces a graph-based scoring function for predicting protein-ligand binding energies, achieving high accuracy across multiple datasets.

This study investigates how auxiliary information improves RNA secondary structure prediction accuracy by analyzing suboptimal structures and using topological data analysis features.

Structure-based drug repositioning using a homology model of the 2019-nCoV 3CL protease screens 1465 FDA-approved DrugBank compounds to identify candidate therapeutics against the virus.

The 2019-nCoV protease shares 96.1% sequence identity and near-identical inhibitor binding sites with SARS-CoV, so a generative machine-learning model proposes candidate inhibitors; existing HIV drugs are also assessed.