About Me
I’m a graduate student in Premila's Research Group at Saint Louis University, where I apply computational chemistry to understand biological systems. My current research focuses on building all-atom models of crowded cellular environments. Most molecular dynamics simulations are performed in dilute solution, yet real cytoplasm is packed with macromolecules that influence protein dynamics. By developing and validating these models, I aim to produce simulations that better reflect cellular conditions.
I work with a different methods, including molecular dynamics simulations (NAMD, AMBER), enhanced sampling (RAMD, SMD), QM/MM approaches, and force field development. This is done with the goal of studying glycolytic enzymes and explore drug–target complexes.
Contact
- Email: edgardo.deleon@slu.edu