Computational Chemistry

Computational Chemistry and CRISPR Allostery

I use molecular dynamics, docking, Markov state modeling, pathway analysis, and allosteric network analysis to study how molecular perturbations reshape protein conformational …

AI-driven and Phenotype-based Drug Design

My earlier work focused on molecular generation, allosteric regulation, CRISPR-Cas9 conformational dynamics, and computational-experimental workflows for drug discovery. I am …