Research

Computational Biophysics

Using multiscale molecular dynamics simulations and free energy calculations, we identify critical loci within biomolecular systems (protein-protein, protein-lipid) that drive functionality. Through in silico modeling of biological events under both healthy and disease conditions, we generate hypotheses that can be experimentally validated. 

Computational drug discovery

We design therapeutic strategies and computational pipelines for drug discovery to mitigate the effects of disease-associated determinants. 

Bioinformatics and System Biology

We harness bioinformatics and systems biology to decode complex biological systems and predict emergent behaviors. By integrating multi-omics data with computational modeling and network analysis, we identify key regulatory elements and interactions that govern cellular functions. Machine learning and statistical approaches aid in unraveling disease mechanisms and discovering biomarkers. These insights drive the development of predictive models for therapeutic interventions, drug repurposing, and precision medicine.  

Database and web-resource development

Our research group focuses on developing databases and web resources to facilitate data-driven scientific discoveries. We design structured repositories for storing, managing, and analyzing complex biological and chemical datasets. By integrating web-based platforms, we provide user-friendly interfaces for researchers to access, visualize, and interpret data efficiently.