Main Research Activities
- Protein conformational equilibria
- Thermodynamics of protein-protein and protein-ligand binding
- Statistical thermodynamics of protein folding and misfolding
- Thermodynamics of solvation of biological macromolecules
- Force field development and high resolution protein modeling
- Modeling of hydrophobic solvation
- Design of high performance computational chemistry algorithms
- Parallel and distributed computing
|
|
The Interdisciplinary Computation & Modeling research Program for Undergraduate students (ICoMPUte)
|
